(E)-3-(3-bromoanilino)-2-[4-(6-nitro-2-oxochromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile

Formula:C21H11N4O4BrS Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-(3-bromoanilino)-2-[4-(6-nitro-2-oxochromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile is a drug-like molecule.

MolName	(E)-3-(3-bromoanilino)-2-[4-(6-nitro-2-oxochromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
MolecularFormula	C21H11N4O4BrS
Smiles	N#C/C(/c1nc(C2=Cc(cc(cc3)[N+]([O-])=O)c3OC2=O)cs1)=C\Nc1cccc(Br)c1
InChI	InChI=1S/C21H11BrN4O4S/c22-14-2-1-3-15(8-14)24-10-13(9-23)20-25-18(11-31-20)17-7-12-6-16(26(28)29)4-5-19(12)30-21(17)27/h1-8,10-11,24H
InChIK	OIWMRDIEEJDIOD-UHFFFAOYSA-N
TotalMolweight	495.312
Molweight	495.312
MonoisotopicMass	493.968437
CLogP	2.284
CLogS	-5.634
H Acceptors	8
H Donors	1
TotalSurfaceArea	326.62
Relative PSA	0.3362
PolarSurfaceArea	149.07
Druglikeness	-7.9021
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.54839
Fragments	1
Non HAtoms	31
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	2
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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