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

Formula:C32H20N2O3S Mutagenic:high Tumorigenic:high Reproductive Effective:none (Z)-2-[4-(3-oxobenzo[f]chromen-2-yl)-1,3-thiazol-2-yl]-3-(4-phenylmethoxyphenyl)prop-2-enenitrile is not a drug-like molecule.

MolName	(Z)-2-[4-(3-oxobenzo[f]chromen-2-yl)-1,3-thiazol-2-yl]-3-(4-phenylmethoxyphenyl)prop-2-enenitrile
MolecularFormula	C32H20N2O3S
Smiles	N#C/C(/c1nc(C2=Cc(c3ccccc3cc3)c3OC2=O)cs1)=C/c(cc1)ccc1OCc1ccccc1
InChI	InChI=1S/C32H20N2O3S/c33-18-24(16-21-10-13-25(14-11-21)36-19-22-6-2-1-3-7-22)31-34-29(20-38-31)28-17-27-26-9-5-4-8-23(26)12-15-30(27)37-32(28)35/h1-17,20H,19H2
InChIK	YTWRPZDYDJFXOL-UHFFFAOYSA-N
TotalMolweight	512.588
Molweight	512.588
MonoisotopicMass	512.119463
CLogP	5.8522
CLogS	-7.341
H Acceptors	5
TotalSurfaceArea	390.98
Relative PSA	0.19932
PolarSurfaceArea	100.45
Druglikeness	-1.4136
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.57895
Fragments	1
Non HAtoms	38
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	6
Rings Closures	6
Small Rings	6
Aromatic Rings	5
Aromatic Atoms	27
Sp3Atoms	3
Symmetricatoms	4
Aromatic Nitrogens	1
StereoCon

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