(E)-3-(1,3-benzodioxol-5-yl)-N-[(2-chlorophenyl)methyl]prop-2-enamide

Formula:C17H14NO3Cl Mutagenic:none Tumorigenic:none Reproductive Effective:high (E)-3-(1,3-benzodioxol-5-yl)-N-[(2-chlorophenyl)methyl]prop-2-enamide is a drug-like molecule.

MolName	(E)-3-(1,3-benzodioxol-5-yl)-N-[(2-chlorophenyl)methyl]prop-2-enamide
MolecularFormula	C17H14NO3Cl
Smiles	O=C(/C=C/c(cc1)cc2c1OCO2)NCc(cccc1)c1Cl
InChI	InChI=1S/C17H14ClNO3/c18-14-4-2-1-3-13(14)10-19-17(20)8-6-12-5-7-15-16(9-12)22-11-21-15/h1-9H,10-11H2,(H,19,20)
InChIK	GATQOURNFBFBCO-UHFFFAOYSA-N
TotalMolweight	315.755
Molweight	315.755
MonoisotopicMass	315.066221
CLogP	3.5631
CLogS	-4.761
H Acceptors	4
H Donors	1
TotalSurfaceArea	238.17
Relative PSA	0.18684
PolarSurfaceArea	47.56
Druglikeness	0.13705
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.63636
Fragments	1
Non HAtoms	22
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	4
Amides	1
StereoCon

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