[2-[(Z)-[(2-phenylmethoxybenzoyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
Formula:C28H21N2O4Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[2-[(Z)-[(2-phenylmethoxybenzoyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate is not a drug-like molecule.
| MolName | [2-[(Z)-[(2-phenylmethoxybenzoyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate |
| MolecularFormula | C28H21N2O4Cl |
| Smiles | O=C(c(cccc1)c1OCc1ccccc1)N/N=C\c(cccc1)c1OC(c(cc1)ccc1Cl)=O |
| InChI | InChI=1S/C28H21ClN2O4/c29-23-16-14-21(15-17-23)28(33)35-25-12-6-4-10-22(25)18-30-31-27(32)24-11-5-7-13-26(24)34-19-20-8-2-1-3-9-20/h1-18H,19H2,(H,31,32) |
| InChIK | WHQCTDOXQHESHJ-UHFFFAOYSA-N |
| TotalMolweight | 484.938 |
| Molweight | 484.938 |
| MonoisotopicMass | 484.118985 |
| CLogP | 6.5862 |
| CLogS | -7.268 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 373.44 |
| Relative PSA | 0.1849 |
| PolarSurfaceArea | 76.99 |
| Druglikeness | 3.8381 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 9 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| StereoCon |
Click to Load Molecule:
1 - [2-[(Z)-[(2-phenylmethoxybenzoyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate | 2 - [2-[(Z)-[(2-phenylmethoxybenzoyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
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