[3-benzoyloxy-4-[(Z)-[[4-[(4-chlorophenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenyl] benzoate
Formula:C35H25N2O6Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[3-benzoyloxy-4-[(Z)-[[4-[(4-chlorophenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenyl] benzoate is not a drug-like molecule.
| MolName | [3-benzoyloxy-4-[(Z)-[[4-[(4-chlorophenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenyl] benzoate |
| MolecularFormula | C35H25N2O6Cl |
| Smiles | O=C(c(cc1)ccc1OCc(cc1)ccc1Cl)N/N=C\c(ccc(OC(c1ccccc1)=O)c1)c1OC(c1ccccc1)=O |
| InChI | InChI=1S/C35H25ClN2O6/c36-29-16-11-24(12-17-29)23-42-30-18-13-25(14-19-30)33(39)38-37-22-28-15-20-31(43-34(40)26-7-3-1-4-8-26)21-32(28)44-35(41)27-9-5-2-6-10-27/h1-22H,23H2,(H,38,39) |
| InChIK | DBDAWDPRDHGMND-UHFFFAOYSA-N |
| TotalMolweight | 605.045 |
| Molweight | 605.045 |
| MonoisotopicMass | 604.140115 |
| CLogP | 8.0167 |
| CLogS | -8.738 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 460.95 |
| Relative PSA | 0.19978 |
| PolarSurfaceArea | 103.29 |
| Druglikeness | 3.8381 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.56818 |
| Fragments | 1 |
| Non HAtoms | 44 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 12 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 30 |
| Sp3Atoms | 4 |
| Symmetricatoms | 8 |
| StereoCon |
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1 - [3-benzoyloxy-4-[(Z)-[[4-[(4-chlorophenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenyl] benzoate | 2 - [3-benzoyloxy-4-[(Z)-[[4-[(4-chlorophenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenyl] benzoate
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