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[4-[(Z)-[[2-[[(Z)-[4-(2,4-dichlorobenzoyl)oxy-3-nitrophenyl]methylideneamino]carbamoyl]-3-(4-nitrophenyl)prop-2-enoyl]hydrazinylidene]methyl]-2-nitrophenyl] 2,4-dichlorobenzoate

Formula:C38H21N7O12Cl4 Mutagenic:none Tumorigenic:none Reproductive Effective:none [4-[(Z)-[[2-[[(Z)-[4-(2,4-dichlorobenzoyl)oxy-3-nitrophenyl]methylideneamino]carbamoyl]-3-(4-nitrophenyl)prop-2-enoyl]hydrazinylidene]methyl]-2-nitrophenyl] 2,4-dichlorobenzoate is not a drug-like molecule.
MolName[4-[(Z)-[[2-[[(Z)-[4-(2,4-dichlorobenzoyl)oxy-3-nitrophenyl]methylideneamino]carbamoyl]-3-(4-nitrophenyl)prop-2-enoyl]hydrazinylidene]methyl]-2-nitrophenyl] 2,4-dichlorobenzoate
MolecularFormulaC38H21N7O12Cl4
Smiles[O-][N+](c1ccc(C=C(C(N/N=C\c(cc2)cc([N+]([O-])=O)c2OC(c(ccc(Cl)c2)c2Cl)=O)=O)C(N/N=C\c(cc2)cc([N+]([O-])=O)c2OC(c(ccc(Cl)c2)c2Cl)=O)=O)cc1)=O
InChIInChI=1S/C38H21Cl4N7O12/c39-23-5-9-26(29(41)16-23)37(52)60-33-11-3-21(14-31(33)48(56)57)18-43-45-35(50)28(13-20-1-7-25(8-2-20)47(54)55)36(51)46-44-19-22-4-12-34(32(15-22)49(58)59)61-38(53)27-10-6-24(40)17-30(27)42/h1-19H,(H,45,50)(H,46,51)
InChIKRXCPEVGUYFFZRQ-UHFFFAOYSA-N
TotalMolweight909.434
Molweight909.434
MonoisotopicMass907.000231
CLogP7.438
CLogS-13.046
H Acceptors19
H Donors2
TotalSurfaceArea633.14
Relative PSA0.33067
PolarSurfaceArea272.98
Druglikeness0.27442
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantlow
Nasty Functionstwice activated DB; aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.5082
Fragments1
Non HAtoms61
NonCHAtoms23
Electronegative Atoms23
Rotatable Bond16
Rings Closures5
Small Rings5
Aromatic Rings5
Aromatic Atoms30
Sp3Atoms5
Symmetricatoms27
AcidicOxygens3
StereoCon

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