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

Formula:C21H11N2O2FS Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-2-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]-3-(4-oxochromen-3-yl)prop-2-enenitrile is a drug-like molecule.

MolName	(E)-2-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]-3-(4-oxochromen-3-yl)prop-2-enenitrile
MolecularFormula	C21H11N2O2FS
Smiles	N#C/C(/c1nc(-c(cccc2)c2F)cs1)=C\C1=COc(cccc2)c2C1=O
InChI	InChI=1S/C21H11FN2O2S/c22-17-7-3-1-5-15(17)18-12-27-21(24-18)13(10-23)9-14-11-26-19-8-4-2-6-16(19)20(14)25/h1-9,11-12H
InChIK	CBZACEFTBMZOLB-UHFFFAOYSA-N
TotalMolweight	374.394
Molweight	374.394
MonoisotopicMass	374.052526
CLogP	3.7694
CLogS	-5.321
H Acceptors	4
TotalSurfaceArea	279.21
Relative PSA	0.24329
PolarSurfaceArea	91.22
Druglikeness	-2.4419
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.55556
Fragments	1
Non HAtoms	27
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	1
Aromatic Nitrogens	1
StereoCon

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