(E)-3-(2-chlorophenyl)-N-(1,3-dioxoisoindol-5-yl)prop-2-enamide

Formula:C17H11N2O3Cl Mutagenic:none Tumorigenic:high Reproductive Effective:none (E)-3-(2-chlorophenyl)-N-(1,3-dioxoisoindol-5-yl)prop-2-enamide is a drug-like molecule.

MolName	(E)-3-(2-chlorophenyl)-N-(1,3-dioxoisoindol-5-yl)prop-2-enamide
MolecularFormula	C17H11N2O3Cl
Smiles	O=C(/C=C/c(cccc1)c1Cl)Nc(cc1)cc(C(N2)=O)c1C2=O
InChI	InChI=1S/C17H11ClN2O3/c18-14-4-2-1-3-10(14)5-8-15(21)19-11-6-7-12-13(9-11)17(23)20-16(12)22/h1-9H,(H,19,21)(H,20,22,23)
InChIK	JENMTPUZLVWREN-UHFFFAOYSA-N
TotalMolweight	326.738
Molweight	326.738
MonoisotopicMass	326.04582
CLogP	2.8234
CLogS	-4.605
H Acceptors	5
H Donors	2
TotalSurfaceArea	237.61
Relative PSA	0.2611
PolarSurfaceArea	75.27
Druglikeness	0.35921
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.6087
Fragments	1
Non HAtoms	23
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Amides	2
StereoCon

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