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(Z)-1-[(3Z)-2-morpholin-4-yl-3-[(3-nitrophenyl)methylidene]cyclopenten-1-yl]-N-[(Z)-(4-nitrophenyl)methylideneamino]methanimine

Formula:C24H23N5O5 Mutagenic:none Tumorigenic:none Reproductive Effective:none (Z)-1-[(3Z)-2-morpholin-4-yl-3-[(3-nitrophenyl)methylidene]cyclopenten-1-yl]-N-[(Z)-(4-nitrophenyl)methylideneamino]methanimine is a drug-like molecule.
MolName(Z)-1-[(3Z)-2-morpholin-4-yl-3-[(3-nitrophenyl)methylidene]cyclopenten-1-yl]-N-[(Z)-(4-nitrophenyl)methylideneamino]methanimine
MolecularFormulaC24H23N5O5
Smiles[O-][N+](c1ccc(/C=N\N=C/C(CC/C2=C/c3cccc([N+]([O-])=O)c3)=C2N2CCOCC2)cc1)=O
InChIInChI=1S/C24H23N5O5/c30-28(31)22-8-4-18(5-9-22)16-25-26-17-21-7-6-20(24(21)27-10-12-34-13-11-27)14-19-2-1-3-23(15-19)29(32)33/h1-5,8-9,14-17H,6-7,10-13H2
InChIKLQMGJLCOVVQEIM-UHFFFAOYSA-N
TotalMolweight461.477
Molweight461.477
MonoisotopicMass461.16992
CLogP3.5219
CLogS-5.618
H Acceptors10
TotalSurfaceArea353.37
Relative PSA0.27566
PolarSurfaceArea128.83
Druglikeness-2.277
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsaromatic nitro; dimethylene-hydrazine; imine/hydrazone of aldehyde
Shape Index0.55882
Fragments1
Non HAtoms34
NonCHAtoms10
Electronegative Atoms10
Rotatable Bond7
Rings Closures4
Small Rings4
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms9
Symmetricatoms4
AcidicOxygens2
StereoCon

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