[1-[(Z)-(cyclohexanecarbonylhydrazinylidene)methyl]naphthalen-2-yl] 2-chlorobenzoate
Formula:C25H23N2O3Cl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[1-[(Z)-(cyclohexanecarbonylhydrazinylidene)methyl]naphthalen-2-yl] 2-chlorobenzoate is not a drug-like molecule.
| MolName | [1-[(Z)-(cyclohexanecarbonylhydrazinylidene)methyl]naphthalen-2-yl] 2-chlorobenzoate |
| MolecularFormula | C25H23N2O3Cl |
| Smiles | O=C(C1CCCCC1)N/N=C\c(c1ccccc1cc1)c1OC(c(cccc1)c1Cl)=O |
| InChI | InChI=1S/C25H23ClN2O3/c26-22-13-7-6-12-20(22)25(30)31-23-15-14-17-8-4-5-11-19(17)21(23)16-27-28-24(29)18-9-2-1-3-10-18/h4-8,11-16,18H,1-3,9-10H2,(H,28,29) |
| InChIK | KFNTVPRHAHOCMJ-UHFFFAOYSA-N |
| TotalMolweight | 434.922 |
| Molweight | 434.922 |
| MonoisotopicMass | 434.13972 |
| CLogP | 6.3328 |
| CLogS | -7.689 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 332.56 |
| Relative PSA | 0.17756 |
| PolarSurfaceArea | 67.76 |
| Druglikeness | -0.099826 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.51613 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 7 |
| Symmetricatoms | 2 |
| StereoCon |
Click to Load Molecule:
1 - [1-[(Z)-(cyclohexanecarbonylhydrazinylidene)methyl]naphthalen-2-yl] 2-chlorobenzoate | 2 - [1-[(Z)-(cyclohexanecarbonylhydrazinylidene)methyl]naphthalen-2-yl] 2-chlorobenzoate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off