(E)-2-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-3-(quinolin-6-ylamino)prop-2-enenitrile

Formula:C21H13N4BrS Mutagenic:high Tumorigenic:none Reproductive Effective:none (E)-2-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-3-(quinolin-6-ylamino)prop-2-enenitrile is a drug-like molecule.

MolName	(E)-2-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-3-(quinolin-6-ylamino)prop-2-enenitrile
MolecularFormula	C21H13N4BrS
Smiles	N#C/C(/c1nc(-c2cccc(Br)c2)cs1)=C\Nc1cc2cccnc2cc1
InChI	InChI=1S/C21H13BrN4S/c22-17-5-1-3-14(9-17)20-13-27-21(26-20)16(11-23)12-25-18-6-7-19-15(10-18)4-2-8-24-19/h1-10,12-13,25H
InChIK	SGHNJOWPKKLSTI-UHFFFAOYSA-N
TotalMolweight	433.332
Molweight	433.332
MonoisotopicMass	432.004427
CLogP	4.1248
CLogS	-5.923
H Acceptors	4
H Donors	1
TotalSurfaceArea	297.35
Relative PSA	0.2264
PolarSurfaceArea	89.84
Druglikeness	-3.4649
Mutagenic	high
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	4
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	21
Aromatic Nitrogens	2
StereoCon

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