(E)-3-(6-bromo-2-chloroquinolin-3-yl)-2-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile

Formula:C27H15N3BrClS Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-(6-bromo-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-(6-bromo-2-chloroquinolin-3-yl)-2-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
MolecularFormula	C27H15N3BrClS
Smiles	N#C/C(/c1nc(-c(cc2)ccc2-c2ccccc2)cs1)=C\c(cc(cc(cc1)Br)c1n1)c1Cl
InChI	InChI=1S/C27H15BrClN3S/c28-23-10-11-24-20(14-23)12-21(26(29)31-24)13-22(15-30)27-32-25(16-33-27)19-8-6-18(7-9-19)17-4-2-1-3-5-17/h1-14,16H
InChIK	LTTGSLWHTPWGQN-UHFFFAOYSA-N
TotalMolweight	528.86
Molweight	528.86
MonoisotopicMass	526.985855
CLogP	7.3167
CLogS	-8.562
H Acceptors	3
TotalSurfaceArea	361.07
Relative PSA	0.15471
PolarSurfaceArea	77.81
Druglikeness	-3.3918
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.57576
Fragments	1
Non HAtoms	33
NonCHAtoms	6
Electronegative Atoms	6
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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