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[4-[(Z)-[[6-[(2Z)-2-[[4-(3,5-dinitrobenzoyl)oxyphenyl]methylidene]hydrazinyl]-6-oxohexanoyl]hydrazinylidene]methyl]phenyl] 3,5-dinitrobenzoate

Formula:C34H26N8O14 Mutagenic:none Tumorigenic:none Reproductive Effective:none [4-[(Z)-[[6-[(2Z)-2-[[4-(3,5-dinitrobenzoyl)oxyphenyl]methylidene]hydrazinyl]-6-oxohexanoyl]hydrazinylidene]methyl]phenyl] 3,5-dinitrobenzoate is not a drug-like molecule.
MolName[4-[(Z)-[[6-[(2Z)-2-[[4-(3,5-dinitrobenzoyl)oxyphenyl]methylidene]hydrazinyl]-6-oxohexanoyl]hydrazinylidene]methyl]phenyl] 3,5-dinitrobenzoate
MolecularFormulaC34H26N8O14
Smiles[O-][N+](c1cc(C(Oc2ccc(/C=N\NC(CCCCC(N/N=C\c(cc3)ccc3OC(c3cc([N+]([O-])=O)cc([N+]([O-])=O)c3)=O)=O)=O)cc2)=O)cc([N+]([O-])=O)c1)=O
InChIInChI=1S/C34H26N8O14/c43-31(37-35-19-21-5-9-29(10-6-21)55-33(45)23-13-25(39(47)48)17-26(14-23)40(49)50)3-1-2-4-32(44)38-36-20-22-7-11-30(12-8-22)56-34(46)24-15-27(41(51)52)18-28(16-24)42(53)54/h5-20H,1-4H2,(H,37,43)(H,38,44)
InChIKQJLLUFBEAHXKBB-UHFFFAOYSA-N
TotalMolweight770.622
Molweight770.622
MonoisotopicMass770.156852
CLogP3.5306
CLogS-9.978
H Acceptors22
H Donors2
TotalSurfaceArea565.7
Relative PSA0.42386
PolarSurfaceArea318.8
Druglikeness-9.4676
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsaromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.60714
Fragments1
Non HAtoms56
NonCHAtoms22
Electronegative Atoms22
Rotatable Bond19
Rings Closures4
Small Rings4
Aromatic Rings4
Aromatic Atoms24
Sp3Atoms10
Symmetricatoms35
AcidicOxygens4
StereoCon

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