(E)-3-(4-chlorophenyl)-2-[4-(2-hydroxyphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile

Formula:C18H11N2OClS Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-(4-chlorophenyl)-2-[4-(2-hydroxyphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile is a drug-like molecule.

MolName	(E)-3-(4-chlorophenyl)-2-[4-(2-hydroxyphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
MolecularFormula	C18H11N2OClS
Smiles	N#C/C(/c1nc(-c(cccc2)c2O)cs1)=C\c(cc1)ccc1Cl
InChI	InChI=1S/C18H11ClN2OS/c19-14-7-5-12(6-8-14)9-13(10-20)18-21-16(11-23-18)15-3-1-2-4-17(15)22/h1-9,11,22H
InChIK	DZBKEOZILGGMLY-UHFFFAOYSA-N
TotalMolweight	338.817
Molweight	338.817
MonoisotopicMass	338.02806
CLogP	4.1732
CLogS	-4.877
H Acceptors	3
H Donors	1
TotalSurfaceArea	255.67
Relative PSA	0.22682
PolarSurfaceArea	85.15
Druglikeness	-1.6315
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.6087
Fragments	1
Non HAtoms	23
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	1
Symmetricatoms	2
Aromatic Nitrogens	1
StereoCon

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