4-[[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]amino]benzamide

Formula:C16H12N2O2Cl2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-[[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]amino]benzamide is a drug-like molecule.

MolName	4-[[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]amino]benzamide
MolecularFormula	C16H12N2O2Cl2
Smiles	NC(c(cc1)ccc1NC(/C=C/c(cc1)cc(Cl)c1Cl)=O)=O
InChI	InChI=1S/C16H12Cl2N2O2/c17-13-7-1-10(9-14(13)18)2-8-15(21)20-12-5-3-11(4-6-12)16(19)22/h1-9H,(H2,19,22)(H,20,21)
InChIK	JWSSZHBAIBXSLV-UHFFFAOYSA-N
TotalMolweight	335.189
Molweight	335.189
MonoisotopicMass	334.027582
CLogP	3.4356
CLogS	-5.059
H Acceptors	4
H Donors	2
TotalSurfaceArea	245.84
Relative PSA	0.21481
PolarSurfaceArea	72.19
Druglikeness	0.17015
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
Symmetricatoms	2
Amides	2
StereoCon

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