2-chloro-4-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]benzoic acid

Formula:C16H11NO3Cl2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-chloro-4-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]benzoic acid is a drug-like molecule.

MolName	2-chloro-4-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]benzoic acid
MolecularFormula	C16H11NO3Cl2
Smiles	OC(c(ccc(NC(/C=C/c(cc1)ccc1Cl)=O)c1)c1Cl)=O
InChI	InChI=1S/C16H11Cl2NO3/c17-11-4-1-10(2-5-11)3-8-15(20)19-12-6-7-13(16(21)22)14(18)9-12/h1-9H,(H,19,20)(H,21,22)
InChIK	FBXOHYBZZZVIBO-UHFFFAOYSA-N
TotalMolweight	336.173
Molweight	336.173
MonoisotopicMass	335.011598
CLogP	3.8334
CLogS	-4.983
H Acceptors	4
H Donors	2
TotalSurfaceArea	243.67
Relative PSA	0.20782
PolarSurfaceArea	66.4
Druglikeness	-0.40752
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.68182
Fragments	1
Non HAtoms	22
NonCHAtoms	6
Electronegative Atoms	6
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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