(Z)-3-(1,3-benzodioxol-5-yl)-2-pyridin-2-ylprop-2-enenitrile

Formula:C15H10N2O2 Mutagenic:none Tumorigenic:none Reproductive Effective:high (Z)-3-(1,3-benzodioxol-5-yl)-2-pyridin-2-ylprop-2-enenitrile is a drug-like molecule.

MolName	(Z)-3-(1,3-benzodioxol-5-yl)-2-pyridin-2-ylprop-2-enenitrile
MolecularFormula	C15H10N2O2
Smiles	N#C/C(/c1ncccc1)=C\c(cc1)cc2c1OCO2
InChI	InChI=1S/C15H10N2O2/c16-9-12(13-3-1-2-6-17-13)7-11-4-5-14-15(8-11)19-10-18-14/h1-8H,10H2
InChIK	VHZHAZBQJIRKCJ-UHFFFAOYSA-N
TotalMolweight	250.256
Molweight	250.256
MonoisotopicMass	250.074228
CLogP	2.4971
CLogS	-3.569
H Acceptors	4
TotalSurfaceArea	198.46
Relative PSA	0.22438
PolarSurfaceArea	55.14
Druglikeness	-5.0925
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.57895
Fragments	1
Non HAtoms	19
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	2
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	3
Aromatic Nitrogens	1
StereoCon

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