[4-[(Z)-[[3-[(4-benzoyloxyphenyl)diazenyl]-3-oxopropanoyl]hydrazinylidene]methyl]phenyl] benzoate
Formula:C30H22N4O6
Mutagenic:low
Tumorigenic:high
Reproductive Effective:none
[4-[(Z)-[[3-[(4-benzoyloxyphenyl)diazenyl]-3-oxopropanoyl]hydrazinylidene]methyl]phenyl] benzoate is not a drug-like molecule.
| MolName | [4-[(Z)-[[3-[(4-benzoyloxyphenyl)diazenyl]-3-oxopropanoyl]hydrazinylidene]methyl]phenyl] benzoate |
| MolecularFormula | C30H22N4O6 |
| Smiles | O=C(CC(/N=N/c(cc1)ccc1OC(c1ccccc1)=O)=O)N/N=C\c(cc1)ccc1OC(c1ccccc1)=O |
| InChI | InChI=1S/C30H22N4O6/c35-27(33-31-20-21-11-15-25(16-12-21)39-29(37)22-7-3-1-4-8-22)19-28(36)34-32-24-13-17-26(18-14-24)40-30(38)23-9-5-2-6-10-23/h1-18,20H,19H2,(H,33,35) |
| InChIK | ZMGYQHZVHVJUCZ-UHFFFAOYSA-N |
| TotalMolweight | 534.527 |
| Molweight | 534.527 |
| MonoisotopicMass | 534.153936 |
| CLogP | 5.9593 |
| CLogS | -7.356 |
| H Acceptors | 10 |
| H Donors | 1 |
| TotalSurfaceArea | 416.54 |
| Relative PSA | 0.28365 |
| PolarSurfaceArea | 135.85 |
| Druglikeness | -5.351 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | azo; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 40 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 11 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 3 |
| Symmetricatoms | 8 |
| StereoCon |
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1 - [4-[(Z)-[[3-[(4-benzoyloxyphenyl)diazenyl]-3-oxopropanoyl]hydrazinylidene]methyl]phenyl] benzoate | 2 - [4-[(Z)-[[3-[(4-benzoyloxyphenyl)diazenyl]-3-oxopropanoyl]hydrazinylidene]methyl]phenyl] benzoate
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