5-nitro-N-[(Z)-[2-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-1-benzothiophene-2-carboxamide

Formula:C23H16N4O6S Mutagenic:none Tumorigenic:none Reproductive Effective:none 5-nitro-N-[(Z)-[2-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-1-benzothiophene-2-carboxamide is a drug-like molecule.

MolName	5-nitro-N-[(Z)-[2-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-1-benzothiophene-2-carboxamide
MolecularFormula	C23H16N4O6S
Smiles	[O-][N+](c1ccc(COc2c(/C=N\NC(c3cc(cc(cc4)[N+]([O-])=O)c4s3)=O)cccc2)cc1)=O
InChI	InChI=1S/C23H16N4O6S/c28-23(22-12-17-11-19(27(31)32)9-10-21(17)34-22)25-24-13-16-3-1-2-4-20(16)33-14-15-5-7-18(8-6-15)26(29)30/h1-13H,14H2,(H,25,28)
InChIK	GFYFGLWWNVOJKB-UHFFFAOYSA-N
TotalMolweight	476.468
Molweight	476.468
MonoisotopicMass	476.079056
CLogP	3.6277
CLogS	-7.331
H Acceptors	10
H Donors	1
TotalSurfaceArea	348.39
Relative PSA	0.36514
PolarSurfaceArea	170.57
Druglikeness	0.38073
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.61765
Fragments	1
Non HAtoms	34
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	8
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	4
Symmetricatoms	2
AcidicOxygens	2
StereoCon

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