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

Formula:C18H11N3BrClS Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-2-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-3-(2-chloroanilino)prop-2-enenitrile is a drug-like molecule.

MolName	(E)-2-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-3-(2-chloroanilino)prop-2-enenitrile
MolecularFormula	C18H11N3BrClS
Smiles	N#C/C(/c1nc(-c2cccc(Br)c2)cs1)=C\Nc(cccc1)c1Cl
InChI	InChI=1S/C18H11BrClN3S/c19-14-5-3-4-12(8-14)17-11-24-18(23-17)13(9-21)10-22-16-7-2-1-6-15(16)20/h1-8,10-11,22H
InChIK	OIRYHEANQUQHIR-UHFFFAOYSA-N
TotalMolweight	416.729
Molweight	416.729
MonoisotopicMass	414.954555
CLogP	4.4148
CLogS	-5.953
H Acceptors	3
H Donors	1
TotalSurfaceArea	279.41
Relative PSA	0.20167
PolarSurfaceArea	76.95
Druglikeness	-3.4192
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.58333
Fragments	1
Non HAtoms	24
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Aromatic Nitrogens	1
StereoCon

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