4-[[(Z)-2-[4-(6-bromo-2-oxochromen-3-yl)-1,3-thiazol-2-yl]-2-cyanoethenyl]amino]benzamide

Formula:C22H13N4O3BrS Mutagenic:high Tumorigenic:none Reproductive Effective:none 4-[[(Z)-2-[4-(6-bromo-2-oxochromen-3-yl)-1,3-thiazol-2-yl]-2-cyanoethenyl]amino]benzamide is a drug-like molecule.

MolName	4-[[(Z)-2-[4-(6-bromo-2-oxochromen-3-yl)-1,3-thiazol-2-yl]-2-cyanoethenyl]amino]benzamide
MolecularFormula	C22H13N4O3BrS
Smiles	NC(c(cc1)ccc1N/C=C(\c1nc(C2=Cc(cc(cc3)Br)c3OC2=O)cs1)/C#N)=O
InChI	InChI=1S/C22H13BrN4O3S/c23-15-3-6-19-13(7-15)8-17(22(29)30-19)18-11-31-21(27-18)14(9-24)10-26-16-4-1-12(2-5-16)20(25)28/h1-8,10-11,26H,(H2,25,28)
InChIK	QUEIKVQKBUGMGE-UHFFFAOYSA-N
TotalMolweight	493.34
Molweight	493.34
MonoisotopicMass	491.989172
CLogP	2.2929
CLogS	-5.263
H Acceptors	7
H Donors	2
TotalSurfaceArea	329.22
Relative PSA	0.32714
PolarSurfaceArea	146.34
Druglikeness	-2.4499
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.58065
Fragments	1
Non HAtoms	31
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	1
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	1
StereoCon

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