4-[2-[(Z)-2-cyano-3-(4-hydroxyanilino)-3-oxoprop-1-enyl]pyrrol-1-yl]benzoic acid

Formula:C21H15N3O4 Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-[2-[(Z)-2-cyano-3-(4-hydroxyanilino)-3-oxoprop-1-enyl]pyrrol-1-yl]benzoic acid is a drug-like molecule.

MolName	4-[2-[(Z)-2-cyano-3-(4-hydroxyanilino)-3-oxoprop-1-enyl]pyrrol-1-yl]benzoic acid
MolecularFormula	C21H15N3O4
Smiles	N#C/C(/C(Nc(cc1)ccc1O)=O)=C/c1cccn1-c(cc1)ccc1C(O)=O
InChI	InChI=1S/C21H15N3O4/c22-13-15(20(26)23-16-5-9-19(25)10-6-16)12-18-2-1-11-24(18)17-7-3-14(4-8-17)21(27)28/h1-12,25H,(H,23,26)(H,27,28)
InChIK	PDHJZYQSPUJOQK-UHFFFAOYSA-N
TotalMolweight	373.367
Molweight	373.367
MonoisotopicMass	373.106257
CLogP	2.3666
CLogS	-5.824
H Acceptors	7
H Donors	3
TotalSurfaceArea	288.06
Relative PSA	0.2922
PolarSurfaceArea	115.35
Druglikeness	-0.90329
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.60714
Fragments	1
Non HAtoms	28
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	2
Symmetricatoms	4
Amides	1
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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