(E)-3-(1,3-benzodioxol-5-yl)-N-(cyclohexylmethyl)prop-2-enamide

Formula:C17H21NO3 Mutagenic:none Tumorigenic:none Reproductive Effective:high (E)-3-(1,3-benzodioxol-5-yl)-N-(cyclohexylmethyl)prop-2-enamide is a drug-like molecule.

MolName	(E)-3-(1,3-benzodioxol-5-yl)-N-(cyclohexylmethyl)prop-2-enamide
MolecularFormula	C17H21NO3
Smiles	O=C(/C=C/c(cc1)cc2c1OCO2)NCC1CCCCC1
InChI	InChI=1S/C17H21NO3/c19-17(18-11-14-4-2-1-3-5-14)9-7-13-6-8-15-16(10-13)21-12-20-15/h6-10,14H,1-5,11-12H2,(H,18,19)
InChIK	CLKHGNJQRGHHGB-UHFFFAOYSA-N
TotalMolweight	287.358
Molweight	287.358
MonoisotopicMass	287.152144
CLogP	3.2894
CLogS	-4.328
H Acceptors	4
H Donors	1
TotalSurfaceArea	230.79
Relative PSA	0.19282
PolarSurfaceArea	47.56
Druglikeness	-4.1014
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.66667
Fragments	1
Non HAtoms	21
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	10
Symmetricatoms	2
Amides	1
StereoCon

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