(Z)-2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]-3-(4-phenylphenyl)prop-2-enenitrile

Formula:C27H16N2O2S Mutagenic:none Tumorigenic:none Reproductive Effective:low (Z)-2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]-3-(4-phenylphenyl)prop-2-enenitrile is a drug-like molecule.

MolName	(Z)-2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]-3-(4-phenylphenyl)prop-2-enenitrile
MolecularFormula	C27H16N2O2S
Smiles	N#C/C(/c1nc(C2=Cc(cccc3)c3OC2=O)cs1)=C/c(cc1)ccc1-c1ccccc1
InChI	InChI=1S/C27H16N2O2S/c28-16-22(14-18-10-12-20(13-11-18)19-6-2-1-3-7-19)26-29-24(17-32-26)23-15-21-8-4-5-9-25(21)31-27(23)30/h1-15,17H
InChIK	JWJWRXIMXGUJFK-UHFFFAOYSA-N
TotalMolweight	432.502
Molweight	432.502
MonoisotopicMass	432.093248
CLogP	4.9689
CLogS	-6.48
H Acceptors	4
TotalSurfaceArea	332.62
Relative PSA	0.20423
PolarSurfaceArea	91.22
Druglikeness	-1.2867
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions
Shape Index	0.59375
Fragments	1
Non HAtoms	32
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	4
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	1
Symmetricatoms	4
Aromatic Nitrogens	1
StereoCon

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