N-[(Z)-(3-nitrophenyl)methylideneamino]-2-[[5-(3-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide

Formula:C23H17N7O5S Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(Z)-(3-nitrophenyl)methylideneamino]-2-[[5-(3-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide is not a drug-like molecule.

MolName	N-[(Z)-(3-nitrophenyl)methylideneamino]-2-[[5-(3-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
MolecularFormula	C23H17N7O5S
Smiles	[O-][N+](c1cccc(/C=N\NC(CSc2nnc(-c3cc([N+]([O-])=O)ccc3)n2-c2ccccc2)=O)c1)=O
InChI	InChI=1S/C23H17N7O5S/c31-21(25-24-14-16-6-4-10-19(12-16)29(32)33)15-36-23-27-26-22(28(23)18-8-2-1-3-9-18)17-7-5-11-20(13-17)30(34)35/h1-14H,15H2,(H,25,31)
InChIK	QKACIEYRZLTKLM-UHFFFAOYSA-N
TotalMolweight	503.498
Molweight	503.498
MonoisotopicMass	503.101188
CLogP	2.6886
CLogS	-9.336
H Acceptors	12
H Donors	1
TotalSurfaceArea	371.82
Relative PSA	0.385
PolarSurfaceArea	189.11
Druglikeness	0.30503
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.52778
Fragments	1
Non HAtoms	36
NonCHAtoms	13
Electronegative Atoms	13
Rotatable Bond	9
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	4
Symmetricatoms	2
Aromatic Nitrogens	3
AcidicOxygens	2
StereoCon

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1 - N-[(Z)-(3-nitrophenyl)methylideneamino]-2-[[5-(3-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide | 2 - N-[(Z)-(3-nitrophenyl)methylideneamino]-2-[[5-(3-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide

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