[3-[(Z)-[(4-phenylmethoxybenzoyl)hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
Formula:C28H20N2O4Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[3-[(Z)-[(4-phenylmethoxybenzoyl)hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate is not a drug-like molecule.
| MolName | [3-[(Z)-[(4-phenylmethoxybenzoyl)hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate |
| MolecularFormula | C28H20N2O4Cl2 |
| Smiles | O=C(c(cc1)ccc1OCc1ccccc1)N/N=C\c1cccc(OC(c(ccc(Cl)c2)c2Cl)=O)c1 |
| InChI | InChI=1S/C28H20Cl2N2O4/c29-22-11-14-25(26(30)16-22)28(34)36-24-8-4-7-20(15-24)17-31-32-27(33)21-9-12-23(13-10-21)35-18-19-5-2-1-3-6-19/h1-17H,18H2,(H,32,33) |
| InChIK | KESHPHGUFNNOME-UHFFFAOYSA-N |
| TotalMolweight | 519.383 |
| Molweight | 519.383 |
| MonoisotopicMass | 518.080012 |
| CLogP | 7.1922 |
| CLogS | -8.004 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 388.86 |
| Relative PSA | 0.17757 |
| PolarSurfaceArea | 76.99 |
| Druglikeness | 3.8381 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 9 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| StereoCon |
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