(E)-3-(1,3-benzodioxol-5-yl)-2-naphthalen-2-ylprop-2-enenitrile

Formula:C20H13NO2 Mutagenic:none Tumorigenic:none Reproductive Effective:high (E)-3-(1,3-benzodioxol-5-yl)-2-naphthalen-2-ylprop-2-enenitrile is a drug-like molecule.

MolName	(E)-3-(1,3-benzodioxol-5-yl)-2-naphthalen-2-ylprop-2-enenitrile
MolecularFormula	C20H13NO2
Smiles	N#C/C(/c1cc2ccccc2cc1)=C/c(cc1)cc2c1OCO2
InChI	InChI=1S/C20H13NO2/c21-12-18(9-14-5-8-19-20(10-14)23-13-22-19)17-7-6-15-3-1-2-4-16(15)11-17/h1-11H,13H2
InChIK	KZLMIKQDOGKRSX-UHFFFAOYSA-N
TotalMolweight	299.328
Molweight	299.328
MonoisotopicMass	299.094629
CLogP	4.6384
CLogS	-5.946
H Acceptors	3
TotalSurfaceArea	234.3
Relative PSA	0.14324
PolarSurfaceArea	42.25
Druglikeness	-5.0925
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.56522
Fragments	1
Non HAtoms	23
NonCHAtoms	3
Electronegative Atoms	3
Rotatable Bond	2
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	3
StereoCon

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