|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C6H5NO3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H
|
|
chemicalCompound:standardIn... |
BTJIUGUIPKRLHP-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Oc1ccc(cc1)[N+](=O)[O-]
|
|
chemicalCompound:molecularF... |
C6H5NO3
|
|
chemicalCompound:moleculeId |
13399
|
|
chemicalCompound:mwFreebase |
139.109
|
|
chemicalCompound:alogp |
1.482
|
|
chemicalCompound:hba |
3
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
66.05
|
|
chemicalCompound:rtb |
1
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
N
|
|
chemicalCompound:acdMostApk... |
7.227
|
|
chemicalCompound:acdLogP |
1.668
|
|
chemicalCompound:acdLogD |
1.272
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
139.109
|
|
chemicalCompound:chemblId |
CHEMBL14130
|
|
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 |
P-NITROPHENOL
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:activity |
activity:498587,
activity:498588,
activity:644135,
activity:644136,
activity:644137,
activity:778939,
activity:778940,
activity:778941,
activity:778942,
activity:778943,
activity:778944,
activity:810797,
activity:810798,
activity:810799,
activity:810800,
activity:810801,
activity:1010346,
activity:1063702,
activity:1506307,
activity:1737676,
activity:1737679,
activity:1737681,
activity:1737684,
activity:1737686,
activity:1737901,
activity:1738277,
activity:1738281,
activity:1738283,
activity:1738287,
activity:1738290,
activity:1738297,
activity:1845279,
activity:1845351,
activity:1845391,
activity:1845393,
activity:1845448,
activity:1998571,
activity:1998585,
activity:2055407,
activity:2055444,
activity:2055503,
activity:2058696,
activity:2385336,
activity:5232946,
activity:6074415,
activity:6074751,
activity:6074765,
activity:6074769,
activity:6074774,
activity:6074780,
activity:6074782,
activity:6074822,
activity:6074849,
activity:6074913,
activity:7565403,
activity:7565404,
activity:7565405,
activity:7565406,
activity:7565407,
activity:7565408,
activity:7565409,
activity:7565410,
activity:7565411,
activity:7565412
|
