4-[[2-[4-(nitrosomethylidene)pyridin-1-yl]acetyl]amino]benzoic acid
Molecular Formula : C15H13N3O4 | Mutagenic : high | Tumorigenic : high | Reproductive Effective : none |4-[[2-[4-(nitrosomethylidene)pyridin-1-yl]acetyl]amino]benzoic acid is a drug-like molecule.
MolName : 4-[[2-[4-(nitrosomethylidene)pyridin-1-yl]acetyl]amino]benzoic acid |
MolecularFormula : C15H13N3O4 |
Smiles : OC(c(cc1)ccc1NC(CN(C=C1)C=CC1=CN=O)=O)=O |
InChI : InChI=1S/C15H13N3O4/c19-14(10-18-7-5-11(6-8-18)9-16-22)17-13-3-1-12(2-4-13)15(20)21/h1-9H,10H2,(H,17,19)(H,20,21) |
InChIK : RXAUTXUXYKPUJR-UHFFFAOYSA-N |
TotalMolweight : 299.285 |
Molweight : 299.285 |
MonoisotopicMass : 299.090607 |
CLogP : -1.2011 |
CLogS : -2.478 |
H Acceptors : 7 |
H Donors : 2 |
TotalSurfaceArea : 232.64 |
Relative PSA : 0.33846 |
PolarSurfaceArea : 99.07 |
Druglikeness : 2.2487 |
Mutagenic : high |
Tumorigenic : high |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : nitroso |
Shape Index : 0.72727 |
Fragments : 1 |
Non HAtoms : 22 |
NonCHAtoms : 7 |
Electronegative Atoms : 7 |
Rotatable Bond : 5 |
Rings Closures : 2 |
Small Rings : 2 |
Aromatic Rings : 1 |
Aromatic Atoms : 6 |
Sp3Atoms : 2 |
Symmetricatoms : 4 |
Amides : 1 |
BasicNitrogens : 1 |
AcidicOxygens : 1 |
StereoCon : |