| MolName | N-[(Z)-(4-fluorophenyl)methylideneamino]-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propanamide |
| MolecularFormula | C22H22N3OF |
| Smiles | O=C(CCn1c(cccc2)c2c2c1CCCC2)N/N=C\c(cc1)ccc1F |
| InChI | InChI=1S/C22H22FN3O/c23-17-11-9-16(10-12-17)15-24-25-22(27)13-14-26-20-7-3-1-5-18(20)19-6-2-4-8-21(19)26/h1,3,5,7,9-12,15H,2,4,6,8,13-14H2,(H,25,27) |
| InChIK | KMDRDUQXQVMFKD-UHFFFAOYSA-N |
| TotalMolweight | 363.435 |
| Molweight | 363.435 |
| MonoisotopicMass | 363.17469 |
| CLogP | 4.6344 |
| CLogS | -5.076 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 286.2 |
| Relative PSA | 0.14983 |
| PolarSurfaceArea | 46.39 |
| Druglikeness | 0.041429 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.59259 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 6 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-(4-fluorophenyl)methylideneamino]-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propanamide | 2 - N-[(Z)-(4-fluorophenyl)methylideneamino]-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propanamide