4-[[(E)-2-cyano-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]benzoic acid

Formula:C17H10N2O3Cl2 Mutagenic:none Tumorigenic:high Reproductive Effective:none 4-[[(E)-2-cyano-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]benzoic acid is a drug-like molecule.

MolName	4-[[(E)-2-cyano-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]benzoic acid
MolecularFormula	C17H10N2O3Cl2
Smiles	N#C/C(/C(Nc(cc1)ccc1C(O)=O)=O)=C\c(ccc(Cl)c1)c1Cl
InChI	InChI=1S/C17H10Cl2N2O3/c18-13-4-1-11(15(19)8-13)7-12(9-20)16(22)21-14-5-2-10(3-6-14)17(23)24/h1-8H,(H,21,22)(H,23,24)
InChIK	POUPUKCNMZQMSF-UHFFFAOYSA-N
TotalMolweight	361.183
Molweight	361.183
MonoisotopicMass	360.006847
CLogP	3.6854
CLogS	-5.255
H Acceptors	5
H Donors	2
TotalSurfaceArea	263.59
Relative PSA	0.24356
PolarSurfaceArea	90.19
Druglikeness	-1.781
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	high
Nasty Functions	twice activated DB
Shape Index	0.625
Fragments	1
Non HAtoms	24
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	1
Symmetricatoms	2
Amides	1
AcidicOxygens	1
StereoCon

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