[4-[(E)-2-cyano-3-(3-hydroxyanilino)-3-oxoprop-1-enyl]phenyl] benzoate

Formula:C23H16N2O4 Mutagenic:none Tumorigenic:none Reproductive Effective:none [4-[(E)-2-cyano-3-(3-hydroxyanilino)-3-oxoprop-1-enyl]phenyl] benzoate is a drug-like molecule.

MolName	[4-[(E)-2-cyano-3-(3-hydroxyanilino)-3-oxoprop-1-enyl]phenyl] benzoate
MolecularFormula	C23H16N2O4
Smiles	N#C/C(/C(Nc1cc(O)ccc1)=O)=C\c(cc1)ccc1OC(c1ccccc1)=O
InChI	InChI=1S/C23H16N2O4/c24-15-18(22(27)25-19-7-4-8-20(26)14-19)13-16-9-11-21(12-10-16)29-23(28)17-5-2-1-3-6-17/h1-14,26H,(H,25,27)
InChIK	VGLTZGGALIDKMO-UHFFFAOYSA-N
TotalMolweight	384.39
Molweight	384.39
MonoisotopicMass	384.111008
CLogP	4.0731
CLogS	-4.944
H Acceptors	6
H Donors	2
TotalSurfaceArea	302.51
Relative PSA	0.24528
PolarSurfaceArea	99.42
Druglikeness	-1.8191
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.62069
Fragments	1
Non HAtoms	29
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	2
Symmetricatoms	4
Amides	1
StereoCon

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