2-chloro-N-[1-(1-cyclohexyltetrazol-5-yl)cyclohexyl]aniline
Formula:C19H26N5Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-chloro-N-[1-(1-cyclohexyltetrazol-5-yl)cyclohexyl]aniline is a drug-like molecule.
| MolName | 2-chloro-N-[1-(1-cyclohexyltetrazol-5-yl)cyclohexyl]aniline |
| MolecularFormula | C19H26N5Cl |
| Smiles | Clc(cccc1)c1NC1(CCCCC1)c1nnnn1C1CCCCC1 |
| InChI | InChI=1S/C19H26ClN5/c20-16-11-5-6-12-17(16)21-19(13-7-2-8-14-19)18-22-23-24-25(18)15-9-3-1-4-10-15/h5-6,11-12,15,21H,1-4,7-10,13-14H2 |
| InChIK | FYGUPGMKWOYUJX-UHFFFAOYSA-N |
| TotalMolweight | 359.903 |
| Molweight | 359.903 |
| MonoisotopicMass | 359.187672 |
| CLogP | 4.5778 |
| CLogS | -4.547 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 278.89 |
| Relative PSA | 0.18373 |
| PolarSurfaceArea | 55.63 |
| Druglikeness | -4.0568 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 12 |
| Symmetricatoms | 4 |
| Amines | 1 |
| Aromatic Amines | 1 |
| Aromatic Nitrogens | 4 |
| StereoCon |
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