|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C6H6N2O2/c7-5-1-3-6(4-2-5)8(9)10/h1-4H,7H2
|
|
chemicalCompound:standardIn... |
TYMLOMAKGOJONV-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Nc1ccc(cc1)[N+](=O)[O-]
|
|
chemicalCompound:molecularF... |
C6H6N2O2
|
|
chemicalCompound:moleculeId |
13467
|
|
chemicalCompound:mwFreebase |
138.124
|
|
chemicalCompound:alogp |
0.977
|
|
chemicalCompound:hba |
3
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
71.84
|
|
chemicalCompound:rtb |
1
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
N
|
|
chemicalCompound:acdLogP |
1.195
|
|
chemicalCompound:acdLogD |
1.195
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
138.124
|
|
chemicalCompound:acdMostBpk... |
1.007
|
|
chemicalCompound:chemblId |
CHEMBL14282
|
|
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 |
4-NITROANILINE
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:activity |
activity:654260,
activity:760037,
activity:760038,
activity:760039,
activity:760040,
activity:760041,
activity:760042,
activity:1506212,
activity:1879162,
activity:1879274,
activity:1879275,
activity:1879408,
activity:1879493,
activity:1879604,
activity:2143196,
activity:2143197,
activity:2385340,
activity:3367277,
activity:3367278,
activity:3367279,
activity:3367280,
activity:3367281,
activity:3367282,
activity:3367297,
activity:3367298,
activity:3367299,
activity:3367300,
activity:3367301,
activity:3367302,
activity:3367303,
activity:3367304,
activity:3367305,
activity:3902912,
activity:4189429,
activity:4246325,
activity:4309187,
activity:5523518,
activity:5833174,
activity:6469868,
activity:6584320,
activity:7015090,
activity:7460987
|
