| MolName | N-cyclohexyl-1-phenyl-9H-pyrido[3,4-b]indole-3-carboxamide |
| MolecularFormula | C24H23N3O |
| Smiles | O=C(c1nc(-c2ccccc2)c2[nH]c(cccc3)c3c2c1)NC1CCCCC1 |
| InChI | InChI=1S/C24H23N3O/c28-24(25-17-11-5-2-6-12-17)21-15-19-18-13-7-8-14-20(18)26-23(19)22(27-21)16-9-3-1-4-10-16/h1,3-4,7-10,13-15,17,26H,2,5-6,11-12H2,(H,25,28) |
| InChIK | MILKMLNUWANBAE-UHFFFAOYSA-N |
| TotalMolweight | 369.467 |
| Molweight | 369.467 |
| MonoisotopicMass | 369.184112 |
| CLogP | 4.8137 |
| CLogS | -6.228 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 287.56 |
| Relative PSA | 0.172 |
| PolarSurfaceArea | 57.78 |
| Druglikeness | -2.9226 |
| Mutagenic | low |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.46429 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 19 |
| Sp3Atoms | 6 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - N-cyclohexyl-1-phenyl-9H-pyrido[3,4-b]indole-3-carboxamide | 2 - N-cyclohexyl-1-phenyl-9H-pyrido[3,4-b]indole-3-carboxamide