[4-[(Z)-[(4-butoxybenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl] 2-chlorobenzoate
Formula:C26H25N2O5Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[4-[(Z)-[(4-butoxybenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl] 2-chlorobenzoate is not a drug-like molecule.
| MolName | [4-[(Z)-[(4-butoxybenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl] 2-chlorobenzoate |
| MolecularFormula | C26H25N2O5Cl |
| Smiles | CCCCOc(cc1)ccc1C(N/N=C\c(cc1)cc(OC)c1OC(c(cccc1)c1Cl)=O)=O |
| InChI | InChI=1S/C26H25ClN2O5/c1-3-4-15-33-20-12-10-19(11-13-20)25(30)29-28-17-18-9-14-23(24(16-18)32-2)34-26(31)21-7-5-6-8-22(21)27/h5-14,16-17H,3-4,15H2,1-2H3,(H,29,30) |
| InChIK | KNEAQFKHIPWPTE-UHFFFAOYSA-N |
| TotalMolweight | 480.947 |
| Molweight | 480.947 |
| MonoisotopicMass | 480.1452 |
| CLogP | 6.4132 |
| CLogS | -6.803 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 375.72 |
| Relative PSA | 0.2104 |
| PolarSurfaceArea | 86.22 |
| Druglikeness | -1.1345 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.67647 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 11 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 8 |
| Symmetricatoms | 2 |
| StereoCon |
Click to Load Molecule:
1 - [4-[(Z)-[(4-butoxybenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl] 2-chlorobenzoate | 2 - [4-[(Z)-[(4-butoxybenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl] 2-chlorobenzoate
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