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

Formula:C21H11N3BrClS Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(2-chloroquinolin-3-yl)prop-2-enenitrile is not a drug-like molecule.

MolName	(E)-2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(2-chloroquinolin-3-yl)prop-2-enenitrile
MolecularFormula	C21H11N3BrClS
Smiles	N#C/C(/c1nc(-c(cc2)ccc2Br)cs1)=C\c1cc2ccccc2nc1Cl
InChI	InChI=1S/C21H11BrClN3S/c22-17-7-5-13(6-8-17)19-12-27-21(26-19)16(11-24)10-15-9-14-3-1-2-4-18(14)25-20(15)23/h1-10,12H
InChIK	WNHHHMLSEOTKCR-UHFFFAOYSA-N
TotalMolweight	452.762
Molweight	452.762
MonoisotopicMass	450.954555
CLogP	5.6575
CLogS	-6.476
H Acceptors	3
TotalSurfaceArea	301.31
Relative PSA	0.18539
PolarSurfaceArea	77.81
Druglikeness	-3.3918
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.59259
Fragments	1
Non HAtoms	27
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	21
Symmetricatoms	2
Aromatic Nitrogens	2
StereoCon

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