(E)-3-(2-chloroquinolin-3-yl)-2-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile

Formula:C27H16N3ClS Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-(2-chloroquinolin-3-yl)-2-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile is not a drug-like molecule.

MolName	(E)-3-(2-chloroquinolin-3-yl)-2-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
MolecularFormula	C27H16N3ClS
Smiles	N#C/C(/c1nc(-c(cc2)ccc2-c2ccccc2)cs1)=C\c1cc2ccccc2nc1Cl
InChI	InChI=1S/C27H16ClN3S/c28-26-22(14-21-8-4-5-9-24(21)30-26)15-23(16-29)27-31-25(17-32-27)20-12-10-19(11-13-20)18-6-2-1-3-7-18/h1-15,17H
InChIK	RIYYXLRMVXEBPJ-UHFFFAOYSA-N
TotalMolweight	449.964
Molweight	449.964
MonoisotopicMass	449.075344
CLogP	6.5915
CLogS	-7.728
H Acceptors	3
TotalSurfaceArea	342.44
Relative PSA	0.16312
PolarSurfaceArea	77.81
Druglikeness	-1.6018
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
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	5
Aromatic Atoms	27
Symmetricatoms	4
Aromatic Nitrogens	2
StereoCon

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