[4-[(Z)-[[2-(4-phenylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 3-chlorobenzoate
Formula:C28H21N2O4Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[4-[(Z)-[[2-(4-phenylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 3-chlorobenzoate is not a drug-like molecule.
| MolName | [4-[(Z)-[[2-(4-phenylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 3-chlorobenzoate |
| MolecularFormula | C28H21N2O4Cl |
| Smiles | O=C(COc(cc1)ccc1-c1ccccc1)N/N=C\c(cc1)ccc1OC(c1cccc(Cl)c1)=O |
| InChI | InChI=1S/C28H21ClN2O4/c29-24-8-4-7-23(17-24)28(33)35-26-13-9-20(10-14-26)18-30-31-27(32)19-34-25-15-11-22(12-16-25)21-5-2-1-3-6-21/h1-18H,19H2,(H,31,32) |
| InChIK | JBEDQTZACGBDMD-UHFFFAOYSA-N |
| TotalMolweight | 484.938 |
| Molweight | 484.938 |
| MonoisotopicMass | 484.118985 |
| CLogP | 6.4722 |
| CLogS | -7.793 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 373.44 |
| Relative PSA | 0.1849 |
| PolarSurfaceArea | 76.99 |
| Druglikeness | 4.0206 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.68571 |
| 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 | 6 |
| StereoCon |
Click to Load Molecule:
1 - [4-[(Z)-[[2-(4-phenylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 3-chlorobenzoate | 2 - [4-[(Z)-[[2-(4-phenylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 3-chlorobenzoate
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