4-[[2-[4-(nitrosomethylidene)pyridin-1-yl]acetyl]amino]benzoic acid

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

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