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

Formula:C14H9NO2S Mutagenic:none Tumorigenic:none Reproductive Effective:high (E)-3-(1,3-benzodioxol-5-yl)-2-thiophen-2-ylprop-2-enenitrile is a drug-like molecule.

MolName	(E)-3-(1,3-benzodioxol-5-yl)-2-thiophen-2-ylprop-2-enenitrile
MolecularFormula	C14H9NO2S
Smiles	N#C/C(/c1cccs1)=C\c(cc1)cc2c1OCO2
InChI	InChI=1S/C14H9NO2S/c15-8-11(14-2-1-5-18-14)6-10-3-4-12-13(7-10)17-9-16-12/h1-7H,9H2
InChIK	TWXWWHBHYBEYDV-UHFFFAOYSA-N
TotalMolweight	255.296
Molweight	255.296
MonoisotopicMass	255.035399
CLogP	3.3106
CLogS	-4.35
H Acceptors	3
TotalSurfaceArea	195.64
Relative PSA	0.27561
PolarSurfaceArea	70.49
Druglikeness	-2.5609
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.55556
Fragments	1
Non HAtoms	18
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	2
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	3
StereoCon

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