(E)-N-(1,3-benzodioxol-5-yl)-3-(2-chloro-6-fluorophenyl)prop-2-enamide

Formula:C16H11NO3ClF Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-N-(1,3-benzodioxol-5-yl)-3-(2-chloro-6-fluorophenyl)prop-2-enamide is a drug-like molecule.

MolName	(E)-N-(1,3-benzodioxol-5-yl)-3-(2-chloro-6-fluorophenyl)prop-2-enamide
MolecularFormula	C16H11NO3ClF
Smiles	O=C(/C=C/c(c(F)ccc1)c1Cl)Nc(cc1)cc2c1OCO2
InChI	InChI=1S/C16H11ClFNO3/c17-12-2-1-3-13(18)11(12)5-7-16(20)19-10-4-6-14-15(8-10)22-9-21-14/h1-8H,9H2,(H,19,20)
InChIK	CSTYAOSSVJPVCY-UHFFFAOYSA-N
TotalMolweight	319.718
Molweight	319.718
MonoisotopicMass	319.041149
CLogP	3.9545
CLogS	-5.259
H Acceptors	4
H Donors	1
TotalSurfaceArea	230.76
Relative PSA	0.19284
PolarSurfaceArea	47.56
Druglikeness	-1.7314
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.59091
Fragments	1
Non HAtoms	22
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	3
Amides	1
StereoCon

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