(E)-3-(2-chlorophenyl)-2-[4-(3-oxobenzo[f]chromen-2-yl)-1,3-thiazol-2-yl]prop-2-enenitrile

Formula:C25H13N2O2ClS Mutagenic:high Tumorigenic:high Reproductive Effective:none (E)-3-(2-chlorophenyl)-2-[4-(3-oxobenzo[f]chromen-2-yl)-1,3-thiazol-2-yl]prop-2-enenitrile is not a drug-like molecule.

MolName	(E)-3-(2-chlorophenyl)-2-[4-(3-oxobenzo[f]chromen-2-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
MolecularFormula	C25H13N2O2ClS
Smiles	N#C/C(/c1nc(C2=Cc(c3ccccc3cc3)c3OC2=O)cs1)=C\c(cccc1)c1Cl
InChI	InChI=1S/C25H13ClN2O2S/c26-21-8-4-2-6-16(21)11-17(13-27)24-28-22(14-31-24)20-12-19-18-7-3-1-5-15(18)9-10-23(19)30-25(20)29/h1-12,14H
InChIK	SPNSLVBSMOCCMS-UHFFFAOYSA-N
TotalMolweight	440.909
Molweight	440.909
MonoisotopicMass	440.038625
CLogP	5.1101
CLogS	-6.736
H Acceptors	4
TotalSurfaceArea	322.88
Relative PSA	0.21039
PolarSurfaceArea	91.22
Druglikeness	-1.214
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.51613
Fragments	1
Non HAtoms	31
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	3
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	1
Aromatic Nitrogens	1
StereoCon

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