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

Formula:C21H11N5O6S Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-(2-nitroanilino)-2-[4-(6-nitro-2-oxochromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile is not a drug-like molecule.

MolName	(E)-3-(2-nitroanilino)-2-[4-(6-nitro-2-oxochromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
MolecularFormula	C21H11N5O6S
Smiles	N#C/C(/c1nc(C2=Cc(cc(cc3)[N+]([O-])=O)c3OC2=O)cs1)=C\Nc(cccc1)c1[N+]([O-])=O
InChI	InChI=1S/C21H11N5O6S/c22-9-13(10-23-16-3-1-2-4-18(16)26(30)31)20-24-17(11-33-20)15-8-12-7-14(25(28)29)5-6-19(12)32-21(15)27/h1-8,10-11,23H
InChIK	OEMLNKHLAGMNAT-UHFFFAOYSA-N
TotalMolweight	461.413
Molweight	461.413
MonoisotopicMass	461.043005
CLogP	0.6372
CLogS	-5.26
H Acceptors	11
H Donors	1
TotalSurfaceArea	331.66
Relative PSA	0.42281
PolarSurfaceArea	194.89
Druglikeness	-6.1121
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.51515
Fragments	1
Non HAtoms	33
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	3
Aromatic Nitrogens	1
AcidicOxygens	2
StereoCon

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