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

Formula:C21H12N2O2S Mutagenic:none Tumorigenic:none Reproductive Effective:low (Z)-2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]-3-phenylprop-2-enenitrile is a drug-like molecule.

MolName	(Z)-2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]-3-phenylprop-2-enenitrile
MolecularFormula	C21H12N2O2S
Smiles	N#C/C(/c1nc(C2=Cc(cccc3)c3OC2=O)cs1)=C/c1ccccc1
InChI	InChI=1S/C21H12N2O2S/c22-12-16(10-14-6-2-1-3-7-14)20-23-18(13-26-20)17-11-15-8-4-5-9-19(15)25-21(17)24/h1-11,13H
InChIK	JUBIEYVDBZOHNL-UHFFFAOYSA-N
TotalMolweight	356.404
Molweight	356.404
MonoisotopicMass	356.061948
CLogP	3.3097
CLogS	-4.394
H Acceptors	4
TotalSurfaceArea	272.86
Relative PSA	0.24896
PolarSurfaceArea	91.22
Druglikeness	-1.2867
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions
Shape Index	0.57692
Fragments	1
Non HAtoms	26
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	1
Symmetricatoms	2
Aromatic Nitrogens	1
StereoCon

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