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

Formula:C14H10N2O2 Mutagenic:none Tumorigenic:high Reproductive Effective:high (E)-2-(1,3-benzodioxol-5-yl)-3-(1H-pyrrol-2-yl)prop-2-enenitrile is a drug-like molecule.

MolName	(E)-2-(1,3-benzodioxol-5-yl)-3-(1H-pyrrol-2-yl)prop-2-enenitrile
MolecularFormula	C14H10N2O2
Smiles	N#C/C(/c(cc1)cc2c1OCO2)=C/c1ccc[nH]1
InChI	InChI=1S/C14H10N2O2/c15-8-11(6-12-2-1-5-16-12)10-3-4-13-14(7-10)18-9-17-13/h1-7,16H,9H2
InChIK	MYKQLQRLHXBZLM-UHFFFAOYSA-N
TotalMolweight	238.245
Molweight	238.245
MonoisotopicMass	238.074228
CLogP	2.2205
CLogS	-3.388
H Acceptors	4
H Donors	1
TotalSurfaceArea	189.27
Relative PSA	0.25123
PolarSurfaceArea	58.04
Druglikeness	-3.7664
Mutagenic	none
Tumorigenic	high
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
Aromatic Nitrogens	1
StereoCon

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