(E)-2-(4-chlorophenyl)-3-[1-(2-fluorophenyl)pyrrol-2-yl]prop-2-enenitrile

Formula:C19H12N2ClF Mutagenic:none Tumorigenic:low Reproductive Effective:low (E)-2-(4-chlorophenyl)-3-[1-(2-fluorophenyl)pyrrol-2-yl]prop-2-enenitrile is a drug-like molecule.

MolName	(E)-2-(4-chlorophenyl)-3-[1-(2-fluorophenyl)pyrrol-2-yl]prop-2-enenitrile
MolecularFormula	C19H12N2ClF
Smiles	N#C/C(/c(cc1)ccc1Cl)=C/c1cccn1-c(cccc1)c1F
InChI	InChI=1S/C19H12ClFN2/c20-16-9-7-14(8-10-16)15(13-22)12-17-4-3-11-23(17)19-6-2-1-5-18(19)21/h1-12H
InChIK	WSXUSFGHZLYRCY-UHFFFAOYSA-N
TotalMolweight	322.769
Molweight	322.769
MonoisotopicMass	322.067303
CLogP	4.2783
CLogS	-7.016
H Acceptors	2
TotalSurfaceArea	250.17
Relative PSA	0.081664
PolarSurfaceArea	28.72
Druglikeness	-4.3265
Mutagenic	none
Tumorigenic	low
Reproductive Effective	low
Irritant	none
Nasty Functions
Shape Index	0.56522
Fragments	1
Non HAtoms	23
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Symmetricatoms	2
Aromatic Nitrogens	1
StereoCon

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