|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C6HCl5O/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H
|
|
chemicalCompound:standardIn... |
IZUPBVBPLAPZRR-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl
|
|
chemicalCompound:molecularF... |
C6HCl5O
|
|
chemicalCompound:moleculeId |
124921
|
|
chemicalCompound:mwFreebase |
266.337
|
|
chemicalCompound:alogp |
4.91
|
|
chemicalCompound:hba |
1
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
20.23
|
|
chemicalCompound:rtb |
0
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdMostApk... |
4.679
|
|
chemicalCompound:acdLogP |
5.115
|
|
chemicalCompound:acdLogD |
2.53
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
266.337
|
|
chemicalCompound:chemblId |
CHEMBL75967
|
|
chemicalCompound:maxPhase |
0
|
|
chemicalCompound:therapeuti... |
0
|
|
chemicalCompound:dosedIngre... |
No
|
|
chemicalCompound:structureT... |
|
|
chemicalCompound:chebi |
|
|
chemicalCompound:moleculeTy... |
|
|
chemicalCompound:oral |
No
|
|
chemicalCompound:parenteral |
No
|
|
chemicalCompound:topical |
No
|
|
chemicalCompound:blackBoxWa... |
No
|
|
chemicalCompound:naturalPro... |
No
|
|
chemicalCompound:proDrug |
No
|
|
chemicalCompound:prefName |
PENTACHLOROPHENOL
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:activity |
activity:331678,
activity:817011,
activity:817012,
activity:817013,
activity:817014,
activity:817015,
activity:2197433,
activity:2197435,
activity:2197441,
activity:2197442,
activity:2197443,
activity:2197444,
activity:2197445,
activity:2197446,
activity:2353567,
activity:2362638,
activity:2362644,
activity:2591790,
activity:3647571,
activity:3685477,
activity:3911020,
activity:3948245,
activity:4036268,
activity:4071300,
activity:4096947,
activity:4118714,
activity:4337054,
activity:4479210,
activity:4562413,
activity:4616715,
activity:4647978,
activity:4780088,
activity:4790326,
activity:4817784,
activity:4833267,
activity:5362360,
activity:5437921,
activity:5500213,
activity:6432427,
activity:6443749,
activity:6469738,
activity:6562511,
activity:6569891,
activity:6584731,
activity:6735668,
activity:6739388,
activity:6750437,
activity:6895941,
activity:6962276,
activity:7011291,
activity:7033247,
activity:7041873,
activity:7046985,
activity:7048554,
activity:7050778,
activity:7052310,
activity:7059168,
activity:7280020,
activity:7315450,
activity:7446266,
activity:7460777,
activity:7464394,
activity:7548662,
activity:8251454,
activity:8288372
|
