(E)-2-cyano-3-(2,3-dihydro-1H-inden-5-yl)prop-2-enamide

Formula:C13H12N2O Mutagenic:none Tumorigenic:none Reproductive Effective:low (E)-2-cyano-3-(2,3-dihydro-1H-inden-5-yl)prop-2-enamide is a drug-like molecule.

MolName	(E)-2-cyano-3-(2,3-dihydro-1H-inden-5-yl)prop-2-enamide
MolecularFormula	C13H12N2O
Smiles	NC(/C(/C#N)=C/c1cc(CCC2)c2cc1)=O
InChI	InChI=1S/C13H12N2O/c14-8-12(13(15)16)7-9-4-5-10-2-1-3-11(10)6-9/h4-7H,1-3H2,(H2,15,16)
InChIK	BCGUVFPXGYUASF-UHFFFAOYSA-N
TotalMolweight	212.251
Molweight	212.251
MonoisotopicMass	212.094963
CLogP	1.7429
CLogS	-3.169
H Acceptors	3
H Donors	1
TotalSurfaceArea	173.73
Relative PSA	0.24101
PolarSurfaceArea	66.88
Druglikeness	-6.1913
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.5625
Fragments	1
Non HAtoms	16
NonCHAtoms	3
Electronegative Atoms	3
Rotatable Bond	2
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	3
Amides	1
StereoCon

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