1-N,3-N-bis[(Z)-(2-nitrophenyl)methylideneamino]-2,4-diphenylcyclobutane-1,3-dicarboxamide

Formula:C32H26N6O6 Mutagenic:none Tumorigenic:none Reproductive Effective:none 1-N,3-N-bis[(Z)-(2-nitrophenyl)methylideneamino]-2,4-diphenylcyclobutane-1,3-dicarboxamide is not a drug-like molecule.

MolName	1-N,3-N-bis[(Z)-(2-nitrophenyl)methylideneamino]-2,4-diphenylcyclobutane-1,3-dicarboxamide
MolecularFormula	C32H26N6O6
Smiles	[O-][N+](c1c(/C=N\NC(C(C(C2C(N/N=C\c(cccc3)c3[N+]([O-])=O)=O)c3ccccc3)C2c2ccccc2)=O)cccc1)=O
InChI	InChI=1S/C32H26N6O6/c39-31(35-33-19-23-15-7-9-17-25(23)37(41)42)29-27(21-11-3-1-4-12-21)30(28(29)22-13-5-2-6-14-22)32(40)36-34-20-24-16-8-10-18-26(24)38(43)44/h1-20,27-30H,(H,35,39)(H,36,40)
InChIK	ZUSUYJDGVWUIKJ-UHFFFAOYSA-N
TotalMolweight	590.594
Molweight	590.594
MonoisotopicMass	590.191384
CLogP	5.1134
CLogS	-8.45
H Acceptors	12
H Donors	2
TotalSurfaceArea	444.32
Relative PSA	0.29902
PolarSurfaceArea	174.56
Druglikeness	0.21413
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.43182
Fragments	1
Non HAtoms	44
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	10
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	24
Sp3Atoms	6
Symmetricatoms	24
AcidicOxygens	2
StereoCon

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1 - 1-N,3-N-bis[(Z)-(2-nitrophenyl)methylideneamino]-2,4-diphenylcyclobutane-1,3-dicarboxamide | 2 - 1-N,3-N-bis[(Z)-(2-nitrophenyl)methylideneamino]-2,4-diphenylcyclobutane-1,3-dicarboxamide

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