| MolName | N-[(Z)-(3-hydroxyphenyl)methylideneamino]-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propanamide |
| MolecularFormula | C22H23N3O2 |
| Smiles | Oc1cccc(/C=N\NC(CCn2c(cccc3)c3c3c2CCCC3)=O)c1 |
| InChI | InChI=1S/C22H23N3O2/c26-17-7-5-6-16(14-17)15-23-24-22(27)12-13-25-20-10-3-1-8-18(20)19-9-2-4-11-21(19)25/h1,3,5-8,10,14-15,26H,2,4,9,11-13H2,(H,24,27) |
| InChIK | ZYOLWHDNJSQQFR-UHFFFAOYSA-N |
| TotalMolweight | 361.444 |
| Molweight | 361.444 |
| MonoisotopicMass | 361.179027 |
| CLogP | 4.1879 |
| CLogS | -4.466 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 286.2 |
| Relative PSA | 0.1956 |
| PolarSurfaceArea | 66.62 |
| Druglikeness | 1.3617 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.55556 |
| 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 | 7 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-(3-hydroxyphenyl)methylideneamino]-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propanamide | 2 - N-[(Z)-(3-hydroxyphenyl)methylideneamino]-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propanamide