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

Formula:C22H14N3BrS Mutagenic:high Tumorigenic:high Reproductive Effective:none (E)-2-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-3-(naphthalen-1-ylamino)prop-2-enenitrile is not a drug-like molecule.

MolName	(E)-2-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-3-(naphthalen-1-ylamino)prop-2-enenitrile
MolecularFormula	C22H14N3BrS
Smiles	N#C/C(/c1nc(-c2cccc(Br)c2)cs1)=C\Nc1cccc2ccccc12
InChI	InChI=1S/C22H14BrN3S/c23-18-8-3-7-16(11-18)21-14-27-22(26-21)17(12-24)13-25-20-10-4-6-15-5-1-2-9-19(15)20/h1-11,13-14,25H
InChIK	LGZFMLXTOOHZME-UHFFFAOYSA-N
TotalMolweight	432.344
Molweight	432.344
MonoisotopicMass	431.009178
CLogP	5.0032
CLogS	-6.823
H Acceptors	3
H Donors	1
TotalSurfaceArea	298.59
Relative PSA	0.18872
PolarSurfaceArea	76.95
Druglikeness	-3.4649
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.55556
Fragments	1
Non HAtoms	27
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	21
Aromatic Nitrogens	1
StereoCon

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