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

Formula:C28H18N2O3S Mutagenic:none Tumorigenic:none Reproductive Effective:low (E)-2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]-3-(4-phenylmethoxyphenyl)prop-2-enenitrile is a drug-like molecule.

MolName	(E)-2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]-3-(4-phenylmethoxyphenyl)prop-2-enenitrile
MolecularFormula	C28H18N2O3S
Smiles	N#C/C(/c1nc(C2=Cc(cccc3)c3OC2=O)cs1)=C\c(cc1)ccc1OCc1ccccc1
InChI	InChI=1S/C28H18N2O3S/c29-16-22(14-19-10-12-23(13-11-19)32-17-20-6-2-1-3-7-20)27-30-25(18-34-27)24-15-21-8-4-5-9-26(21)33-28(24)31/h1-15,18H,17H2
InChIK	LAUHPYOJSOGKJP-UHFFFAOYSA-N
TotalMolweight	462.528
Molweight	462.528
MonoisotopicMass	462.103813
CLogP	4.6578
CLogS	-5.735
H Acceptors	5
TotalSurfaceArea	356.38
Relative PSA	0.21867
PolarSurfaceArea	100.45
Druglikeness	-1.4136
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions
Shape Index	0.61765
Fragments	1
Non HAtoms	34
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	6
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	3
Symmetricatoms	4
Aromatic Nitrogens	1
StereoCon

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