[1-[(Z)-[[2-[2-(cyclohexylcarbamoyl)anilino]-2-oxoacetyl]hydrazinylidene]methyl]naphthalen-2-yl] 2,4-dichlorobenzoate
Formula:C33H28N4O5Cl2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[1-[(Z)-[[2-[2-(cyclohexylcarbamoyl)anilino]-2-oxoacetyl]hydrazinylidene]methyl]naphthalen-2-yl] 2,4-dichlorobenzoate is not a drug-like molecule.
| MolName | [1-[(Z)-[[2-[2-(cyclohexylcarbamoyl)anilino]-2-oxoacetyl]hydrazinylidene]methyl]naphthalen-2-yl] 2,4-dichlorobenzoate |
| MolecularFormula | C33H28N4O5Cl2 |
| Smiles | O=C(C(N/N=C\c(c1ccccc1cc1)c1OC(c(ccc(Cl)c1)c1Cl)=O)=O)Nc(cccc1)c1C(NC1CCCCC1)=O |
| InChI | InChI=1S/C33H28Cl2N4O5/c34-21-15-16-24(27(35)18-21)33(43)44-29-17-14-20-8-4-5-11-23(20)26(29)19-36-39-32(42)31(41)38-28-13-7-6-12-25(28)30(40)37-22-9-2-1-3-10-22/h4-8,11-19,22H,1-3,9-10H2,(H,37,40)(H,38,41)(H,39,42) |
| InChIK | OZONLYPMWDDATR-UHFFFAOYSA-N |
| TotalMolweight | 631.514 |
| Molweight | 631.514 |
| MonoisotopicMass | 630.143675 |
| CLogP | 6.9753 |
| CLogS | -9.652 |
| H Acceptors | 9 |
| H Donors | 3 |
| TotalSurfaceArea | 466.16 |
| Relative PSA | 0.23179 |
| PolarSurfaceArea | 125.96 |
| Druglikeness | -0.73762 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.52273 |
| Fragments | 1 |
| Non HAtoms | 44 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 9 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 7 |
| Symmetricatoms | 2 |
| Amides | 2 |
| StereoCon |
Click to Load Molecule:
1 - [1-[(Z)-[[2-[2-(cyclohexylcarbamoyl)anilino]-2-oxoacetyl]hydrazinylidene]methyl]naphthalen-2-yl] 2,4-dichlorobenzoate | 2 - [1-[(Z)-[[2-[2-(cyclohexylcarbamoyl)anilino]-2-oxoacetyl]hydrazinylidene]methyl]naphthalen-2-yl] 2,4-dichlorobenzoate
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