(E)-2-benzoyl-3-(1H-pyrrol-2-yl)prop-2-enenitrile

Formula:C14H10N2O Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-2-benzoyl-3-(1H-pyrrol-2-yl)prop-2-enenitrile is a drug-like molecule.

MolName	(E)-2-benzoyl-3-(1H-pyrrol-2-yl)prop-2-enenitrile
MolecularFormula	C14H10N2O
Smiles	N#C/C(/C(c1ccccc1)=O)=C\c1ccc[nH]1
InChI	InChI=1S/C14H10N2O/c15-10-12(9-13-7-4-8-16-13)14(17)11-5-2-1-3-6-11/h1-9,16H
InChIK	TUKFFPXAFXRQFV-UHFFFAOYSA-N
TotalMolweight	222.246
Molweight	222.246
MonoisotopicMass	222.079313
CLogP	1.9323
CLogS	-3.16
H Acceptors	3
H Donors	1
TotalSurfaceArea	186.76
Relative PSA	0.21734
PolarSurfaceArea	56.65
Druglikeness	-2.7059
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.58824
Fragments	1
Non HAtoms	17
NonCHAtoms	3
Electronegative Atoms	3
Rotatable Bond	3
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Symmetricatoms	2
Aromatic Nitrogens	1
StereoCon

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