(Z)-1-(4-benzylsulfanyl-3-nitrophenyl)-N-[(4-nitrophenyl)methoxy]methanimine

Formula:C21H17N3O5S Mutagenic:none Tumorigenic:none Reproductive Effective:none (Z)-1-(4-benzylsulfanyl-3-nitrophenyl)-N-[(4-nitrophenyl)methoxy]methanimine is a drug-like molecule.

MolName	(Z)-1-(4-benzylsulfanyl-3-nitrophenyl)-N-[(4-nitrophenyl)methoxy]methanimine
MolecularFormula	C21H17N3O5S
Smiles	[O-][N+](c1ccc(CO/N=C\c(cc2)cc([N+]([O-])=O)c2SCc2ccccc2)cc1)=O
InChI	InChI=1S/C21H17N3O5S/c25-23(26)19-9-6-16(7-10-19)14-29-22-13-18-8-11-21(20(12-18)24(27)28)30-15-17-4-2-1-3-5-17/h1-13H,14-15H2
InChIK	MJGYJRNGPAJYPP-UHFFFAOYSA-N
TotalMolweight	423.448
Molweight	423.448
MonoisotopicMass	423.088892
CLogP	3.9539
CLogS	-6.991
H Acceptors	8
TotalSurfaceArea	319.89
Relative PSA	0.31211
PolarSurfaceArea	138.53
Druglikeness	-4.5027
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.66667
Fragments	1
Non HAtoms	30
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	9
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	6
Symmetricatoms	4
AcidicOxygens	2
StereoCon

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