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

Formula:C25H13N2O2BrS Mutagenic:high Tumorigenic:high Reproductive Effective:none (E)-3-(4-bromophenyl)-2-[4-(3-oxobenzo[f]chromen-2-yl)-1,3-thiazol-2-yl]prop-2-enenitrile is not a drug-like molecule.

MolName	(E)-3-(4-bromophenyl)-2-[4-(3-oxobenzo[f]chromen-2-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
MolecularFormula	C25H13N2O2BrS
Smiles	N#C/C(/c1nc(C2=Cc(c3ccccc3cc3)c3OC2=O)cs1)=C\c(cc1)ccc1Br
InChI	InChI=1S/C25H13BrN2O2S/c26-18-8-5-15(6-9-18)11-17(13-27)24-28-22(14-31-24)21-12-20-19-4-2-1-3-16(19)7-10-23(20)30-25(21)29/h1-12,14H
InChIK	REQRUECPWPXPKD-UHFFFAOYSA-N
TotalMolweight	485.36
Molweight	485.36
MonoisotopicMass	483.988109
CLogP	5.2293
CLogS	-6.834
H Acceptors	4
TotalSurfaceArea	326.09
Relative PSA	0.20832
PolarSurfaceArea	91.22
Druglikeness	-3.0767
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.54839
Fragments	1
Non HAtoms	31
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	3
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	1
Symmetricatoms	2
Aromatic Nitrogens	1
StereoCon

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