(E)-3-[5-(2-fluorophenyl)furan-2-yl]-2-(4-phenyl-1,3-thiazol-2-yl)prop-2-enenitrile

Formula:C22H13N2OFS Mutagenic:high Tumorigenic:high Reproductive Effective:none (E)-3-[5-(2-fluorophenyl)furan-2-yl]-2-(4-phenyl-1,3-thiazol-2-yl)prop-2-enenitrile is a drug-like molecule.

MolName	(E)-3-[5-(2-fluorophenyl)furan-2-yl]-2-(4-phenyl-1,3-thiazol-2-yl)prop-2-enenitrile
MolecularFormula	C22H13N2OFS
Smiles	N#C/C(/c1nc(-c2ccccc2)cs1)=C\c1ccc(-c(cccc2)c2F)o1
InChI	InChI=1S/C22H13FN2OS/c23-19-9-5-4-8-18(19)21-11-10-17(26-21)12-16(13-24)22-25-20(14-27-22)15-6-2-1-3-7-15/h1-12,14H
InChIK	FTTUVFGLQIMGIU-UHFFFAOYSA-N
TotalMolweight	372.422
Molweight	372.422
MonoisotopicMass	372.073261
CLogP	4.9526
CLogS	-6.211
H Acceptors	3
TotalSurfaceArea	289.7
Relative PSA	0.20366
PolarSurfaceArea	78.06
Druglikeness	-2.0534
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.59259
Fragments	1
Non HAtoms	27
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	22
Symmetricatoms	2
Aromatic Nitrogens	1
StereoCon

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