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(4Z)-5-morpholin-4-yl-4-[[4-[(Z)-[3-morpholin-4-yl-1-(4-nitrophenyl)-5-oxopyrazol-4-ylidene]methyl]phenyl]methylidene]-2-(4-nitrophenyl)pyrazol-3-one

Formula:C34H30N8O8 Mutagenic:none Tumorigenic:none Reproductive Effective:none (4Z)-5-morpholin-4-yl-4-[[4-[(Z)-[3-morpholin-4-yl-1-(4-nitrophenyl)-5-oxopyrazol-4-ylidene]methyl]phenyl]methylidene]-2-(4-nitrophenyl)pyrazol-3-one is not a drug-like molecule.
MolName(4Z)-5-morpholin-4-yl-4-[[4-[(Z)-[3-morpholin-4-yl-1-(4-nitrophenyl)-5-oxopyrazol-4-ylidene]methyl]phenyl]methylidene]-2-(4-nitrophenyl)pyrazol-3-one
MolecularFormulaC34H30N8O8
Smiles[O-][N+](c(cc1)ccc1N(C(/C1=C\c2ccc(/C=C(\C3=O)/C(N4CCOCC4)=NN3c(cc3)ccc3[N+]([O-])=O)cc2)=O)N=C1N1CCOCC1)=O
InChIInChI=1S/C34H30N8O8/c43-33-29(31(37-13-17-49-18-14-37)35-39(33)25-5-9-27(10-6-25)41(45)46)21-23-1-2-24(4-3-23)22-30-32(38-15-19-50-20-16-38)36-40(34(30)44)26-7-11-28(12-8-26)42(47)48/h1-12,21-22H,13-20H2
InChIKSQIDJMNETFFMHN-UHFFFAOYSA-N
TotalMolweight678.66
Molweight678.66
MonoisotopicMass678.218662
CLogP1.934
CLogS-4.678
H Acceptors16
TotalSurfaceArea488.26
Relative PSA0.29521
PolarSurfaceArea181.92
Druglikeness-0.4245
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritanthigh
Nasty Functionstwice activated DB; aromatic nitro
Shape Index0.48
Fragments1
Non HAtoms50
NonCHAtoms16
Electronegative Atoms16
Rotatable Bond6
Rings Closures7
Small Rings7
Aromatic Rings3
Aromatic Atoms18
Sp3Atoms12
Symmetricatoms30
AcidicOxygens2
StereoCon

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