|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C10H10ClNO2/c1-7-5-8(10(11)12-6-7)3-4-9(13)14-2/h3-6H,1-2H3/b4-3+
|
|
chemicalCompound:standardIn... |
KNMMNFCPGOFVTG-ONEGZZNKSA-N
|
|
chemicalCompound:canonicalS... |
COC(=O)\C=C\c1cc(C)cnc1Cl
|
|
chemicalCompound:molecularF... |
C10H10ClNO2
|
|
chemicalCompound:moleculeId |
578140
|
|
chemicalCompound:mwFreebase |
211.645
|
|
chemicalCompound:alogp |
2.362
|
|
chemicalCompound:hba |
3
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
39.19
|
|
chemicalCompound:rtb |
3
|
|
chemicalCompound:ro3Pass |
Y
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
N
|
|
chemicalCompound:acdLogP |
2.503
|
|
chemicalCompound:acdLogD |
2.503
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
211.645
|
|
chemicalCompound:acdMostBpk... |
0.443
|
|
chemicalCompound:chemblId |
CHEMBL570382
|
|
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:activity |
|
