(E)-2-[4-(6-bromo-2-oxochromen-3-yl)-1,3-thiazol-2-yl]-3-(naphthalen-2-ylamino)prop-2-enenitrile

Formula:C25H14N3O2BrS Mutagenic:high Tumorigenic:high Reproductive Effective:none (E)-2-[4-(6-bromo-2-oxochromen-3-yl)-1,3-thiazol-2-yl]-3-(naphthalen-2-ylamino)prop-2-enenitrile is not a drug-like molecule.

MolName	(E)-2-[4-(6-bromo-2-oxochromen-3-yl)-1,3-thiazol-2-yl]-3-(naphthalen-2-ylamino)prop-2-enenitrile
MolecularFormula	C25H14N3O2BrS
Smiles	N#C/C(/c1nc(C2=Cc(cc(cc3)Br)c3OC2=O)cs1)=C\Nc1cc2ccccc2cc1
InChI	InChI=1S/C25H14BrN3O2S/c26-19-6-8-23-17(9-19)11-21(25(30)31-23)22-14-32-24(29-22)18(12-27)13-28-20-7-5-15-3-1-2-4-16(15)10-20/h1-11,13-14,28H
InChIK	IHHPCCNMDZIJIE-UHFFFAOYSA-N
TotalMolweight	500.375
Molweight	500.375
MonoisotopicMass	498.999008
CLogP	4.4
CLogS	-6.78
H Acceptors	5
H Donors	1
TotalSurfaceArea	337.55
Relative PSA	0.23519
PolarSurfaceArea	103.25
Druglikeness	-2.9087
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.5625
Fragments	1
Non HAtoms	32
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	1
Aromatic Nitrogens	1
StereoCon

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