[3-(4-chlorobenzoyl)oxy-4-[(Z)-(naphthalene-1-carbonylhydrazinylidene)methyl]phenyl] 4-chlorobenzoate
Formula:C32H20N2O5Cl2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
[3-(4-chlorobenzoyl)oxy-4-[(Z)-(naphthalene-1-carbonylhydrazinylidene)methyl]phenyl] 4-chlorobenzoate is not a drug-like molecule.
| MolName | [3-(4-chlorobenzoyl)oxy-4-[(Z)-(naphthalene-1-carbonylhydrazinylidene)methyl]phenyl] 4-chlorobenzoate |
| MolecularFormula | C32H20N2O5Cl2 |
| Smiles | O=C(c1cccc2ccccc12)N/N=C\c(ccc(OC(c(cc1)ccc1Cl)=O)c1)c1OC(c(cc1)ccc1Cl)=O |
| InChI | InChI=1S/C32H20Cl2N2O5/c33-24-13-8-21(9-14-24)31(38)40-26-17-12-23(29(18-26)41-32(39)22-10-15-25(34)16-11-22)19-35-36-30(37)28-7-3-5-20-4-1-2-6-27(20)28/h1-19H,(H,36,37) |
| InChIK | HWJHRRYJCQOROV-UHFFFAOYSA-N |
| TotalMolweight | 583.426 |
| Molweight | 583.426 |
| MonoisotopicMass | 582.074927 |
| CLogP | 8.469 |
| CLogS | -9.739 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 427.45 |
| Relative PSA | 0.19205 |
| PolarSurfaceArea | 94.06 |
| Druglikeness | 4.0416 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.4878 |
| Fragments | 1 |
| Non HAtoms | 41 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 9 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 28 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| StereoCon |
Click to Load Molecule:
1 - [3-(4-chlorobenzoyl)oxy-4-[(Z)-(naphthalene-1-carbonylhydrazinylidene)methyl]phenyl] 4-chlorobenzoate | 2 - [3-(4-chlorobenzoyl)oxy-4-[(Z)-(naphthalene-1-carbonylhydrazinylidene)methyl]phenyl] 4-chlorobenzoate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off