[4-[(Z)-[[2,2-bis(4-chlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] naphthalene-1-carboxylate
Formula:C32H22N2O5Cl2
Mutagenic:low
Tumorigenic:high
Reproductive Effective:high
[4-[(Z)-[[2,2-bis(4-chlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] naphthalene-1-carboxylate is not a drug-like molecule.
| MolName | [4-[(Z)-[[2,2-bis(4-chlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] naphthalene-1-carboxylate |
| MolecularFormula | C32H22N2O5Cl2 |
| Smiles | O=C(C(Oc(cc1)ccc1Cl)Oc(cc1)ccc1Cl)N/N=C\c(cc1)ccc1OC(c1cccc2ccccc12)=O |
| InChI | InChI=1S/C32H22Cl2N2O5/c33-23-10-16-26(17-11-23)40-32(41-27-18-12-24(34)13-19-27)30(37)36-35-20-21-8-14-25(15-9-21)39-31(38)29-7-3-5-22-4-1-2-6-28(22)29/h1-20,32H,(H,36,37) |
| InChIK | PXUSKUWSARXYGP-UHFFFAOYSA-N |
| TotalMolweight | 585.442 |
| Molweight | 585.442 |
| MonoisotopicMass | 584.090577 |
| CLogP | 7.8511 |
| CLogS | -9.32 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 432.2 |
| Relative PSA | 0.1829 |
| PolarSurfaceArea | 86.22 |
| Druglikeness | 4.2953 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.53659 |
| Fragments | 1 |
| Non HAtoms | 41 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 10 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 28 |
| Sp3Atoms | 4 |
| Symmetricatoms | 12 |
| StereoCon |
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