(E)-2-(1H-benzimidazol-2-yl)-3-(1,3-benzodioxol-5-yl)prop-2-enenitrile

Formula:C17H11N3O2 Mutagenic:none Tumorigenic:none Reproductive Effective:high (E)-2-(1H-benzimidazol-2-yl)-3-(1,3-benzodioxol-5-yl)prop-2-enenitrile is a drug-like molecule.

MolName	(E)-2-(1H-benzimidazol-2-yl)-3-(1,3-benzodioxol-5-yl)prop-2-enenitrile
MolecularFormula	C17H11N3O2
Smiles	N#C/C(/c1nc(cccc2)c2[nH]1)=C\c(cc1)cc2c1OCO2
InChI	InChI=1S/C17H11N3O2/c18-9-12(17-19-13-3-1-2-4-14(13)20-17)7-11-5-6-15-16(8-11)22-10-21-15/h1-8H,10H2,(H,19,20)
InChIK	OLEHBLSQRIAMFP-UHFFFAOYSA-N
TotalMolweight	289.293
Molweight	289.293
MonoisotopicMass	289.085127
CLogP	2.9331
CLogS	-3.835
H Acceptors	5
H Donors	1
TotalSurfaceArea	222.63
Relative PSA	0.26286
PolarSurfaceArea	70.93
Druglikeness	-3.8507
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.54545
Fragments	1
Non HAtoms	22
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	2
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	15
Sp3Atoms	3
Aromatic Nitrogens	2
BasicNitrogens	1
StereoCon

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