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

Formula:C18H10N2BrClS Mutagenic:none Tumorigenic:high Reproductive Effective:none (E)-2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(2-chlorophenyl)prop-2-enenitrile is not a drug-like molecule.

MolName	(E)-2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(2-chlorophenyl)prop-2-enenitrile
MolecularFormula	C18H10N2BrClS
Smiles	N#C/C(/c1nc(-c(cc2)ccc2Br)cs1)=C\c(cccc1)c1Cl
InChI	InChI=1S/C18H10BrClN2S/c19-15-7-5-12(6-8-15)17-11-23-18(22-17)14(10-21)9-13-3-1-2-4-16(13)20/h1-9,11H
InChIK	OFOINCQVOGAHLM-UHFFFAOYSA-N
TotalMolweight	401.714
Molweight	401.714
MonoisotopicMass	399.943656
CLogP	5.2441
CLogS	-6.007
H Acceptors	2
TotalSurfaceArea	267.95
Relative PSA	0.16753
PolarSurfaceArea	64.92
Druglikeness	-3.3918
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	high
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
Symmetricatoms	2
Aromatic Nitrogens	1
StereoCon

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