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

Formula:C21H12N2O3S Mutagenic:none Tumorigenic:none Reproductive Effective:low (Z)-3-(3-hydroxyphenyl)-2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile is a drug-like molecule.

MolName	(Z)-3-(3-hydroxyphenyl)-2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
MolecularFormula	C21H12N2O3S
Smiles	N#C/C(/c1nc(C2=Cc(cccc3)c3OC2=O)cs1)=C/c1cc(O)ccc1
InChI	InChI=1S/C21H12N2O3S/c22-11-15(8-13-4-3-6-16(24)9-13)20-23-18(12-27-20)17-10-14-5-1-2-7-19(14)26-21(17)25/h1-10,12,24H
InChIK	CHVFQAJEVWCVQU-UHFFFAOYSA-N
TotalMolweight	372.403
Molweight	372.403
MonoisotopicMass	372.056863
CLogP	2.964
CLogS	-4.098
H Acceptors	5
H Donors	1
TotalSurfaceArea	279.21
Relative PSA	0.29021
PolarSurfaceArea	111.45
Druglikeness	-1.2535
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions
Shape Index	0.55556
Fragments	1
Non HAtoms	27
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	2
Aromatic Nitrogens	1
StereoCon

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