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

Formula:C26H24N6O3 Mutagenic:none Tumorigenic:none Reproductive Effective:none (Z)-1-[(3E)-2-morpholin-4-yl-3-[(3-nitrophenyl)methylidene]cyclopenten-1-yl]-N-[(Z)-quinoxalin-2-ylmethylideneamino]methanimine is a drug-like molecule.
MolName(Z)-1-[(3E)-2-morpholin-4-yl-3-[(3-nitrophenyl)methylidene]cyclopenten-1-yl]-N-[(Z)-quinoxalin-2-ylmethylideneamino]methanimine
MolecularFormulaC26H24N6O3
Smiles[O-][N+](c1cc(/C=C(\CC2)/C(N3CCOCC3)=C2/C=N\N=C/c2nc3ccccc3nc2)ccc1)=O
InChIInChI=1S/C26H24N6O3/c33-32(34)23-5-3-4-19(15-23)14-20-8-9-21(26(20)31-10-12-35-13-11-31)16-28-29-18-22-17-27-24-6-1-2-7-25(24)30-22/h1-7,14-18H,8-13H2
InChIKASOLJKNUAJTZKU-UHFFFAOYSA-N
TotalMolweight468.516
Molweight468.516
MonoisotopicMass468.190989
CLogP3.9351
CLogS-4.988
H Acceptors9
TotalSurfaceArea361.82
Relative PSA0.24579
PolarSurfaceArea108.79
Druglikeness-2.277
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsaromatic nitro; dimethylene-hydrazine; imine/hydrazone of aldehyde
Shape Index0.54286
Fragments1
Non HAtoms35
NonCHAtoms9
Electronegative Atoms9
Rotatable Bond6
Rings Closures5
Small Rings5
Aromatic Rings3
Aromatic Atoms16
Sp3Atoms8
Symmetricatoms2
Aromatic Nitrogens2
AcidicOxygens1
StereoCon

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