N-[(Z)-(2-cyclohexylcyclohexylidene)amino]-2-nitroaniline
Formula:C18H25N3O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2-cyclohexylcyclohexylidene)amino]-2-nitroaniline is not a drug-like molecule.
| MolName | N-[(Z)-(2-cyclohexylcyclohexylidene)amino]-2-nitroaniline |
| MolecularFormula | C18H25N3O2 |
| Smiles | [O-][N+](c(cccc1)c1N/N=C(/CCCC1)\C1C1CCCCC1)=O |
| InChI | InChI=1S/C18H25N3O2/c22-21(23)18-13-7-6-12-17(18)20-19-16-11-5-4-10-15(16)14-8-2-1-3-9-14/h6-7,12-15,20H,1-5,8-11H2/t15-/m0/s1 |
| InChIK | OOWUMIPCSCAJMD-HNNXBMFYSA-N |
| TotalMolweight | 315.415 |
| Molweight | 315.415 |
| MonoisotopicMass | 315.194677 |
| CLogP | 5.2834 |
| CLogS | -4.957 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 253.2 |
| Relative PSA | 0.21086 |
| PolarSurfaceArea | 70.21 |
| Druglikeness | -7.9077 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.52174 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 12 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon | racemate |
Click to Load Molecule:
1 - N-[(Z)-(2-cyclohexylcyclohexylidene)amino]-2-nitroaniline | 2 - N-[(Z)-(2-cyclohexylcyclohexylidene)amino]-2-nitroaniline
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