[3-(4-chlorobenzoyl)oxy-4-[(Z)-[(2-naphthalen-1-ylacetyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
Formula:C33H22N2O5Cl2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
[3-(4-chlorobenzoyl)oxy-4-[(Z)-[(2-naphthalen-1-ylacetyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate is not a drug-like molecule.
| MolName | [3-(4-chlorobenzoyl)oxy-4-[(Z)-[(2-naphthalen-1-ylacetyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate |
| MolecularFormula | C33H22N2O5Cl2 |
| Smiles | O=C(Cc1cccc2ccccc12)N/N=C\c(ccc(OC(c(cc1)ccc1Cl)=O)c1)c1OC(c(cc1)ccc1Cl)=O |
| InChI | InChI=1S/C33H22Cl2N2O5/c34-26-13-8-22(9-14-26)32(39)41-28-17-12-25(30(19-28)42-33(40)23-10-15-27(35)16-11-23)20-36-37-31(38)18-24-6-3-5-21-4-1-2-7-29(21)24/h1-17,19-20H,18H2,(H,37,38) |
| InChIK | IYOZNIJWZQPPMB-UHFFFAOYSA-N |
| TotalMolweight | 597.453 |
| Molweight | 597.453 |
| MonoisotopicMass | 596.090577 |
| CLogP | 8.4671 |
| CLogS | -9.704 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 441.21 |
| Relative PSA | 0.18606 |
| PolarSurfaceArea | 94.06 |
| Druglikeness | 4.0798 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 42 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 10 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 28 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| StereoCon |
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1 - [3-(4-chlorobenzoyl)oxy-4-[(Z)-[(2-naphthalen-1-ylacetyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate | 2 - [3-(4-chlorobenzoyl)oxy-4-[(Z)-[(2-naphthalen-1-ylacetyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
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