N-[(Z)-naphthalen-1-ylmethylideneamino]-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propanamide
Formula:C26H25N3O
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-naphthalen-1-ylmethylideneamino]-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propanamide is not a drug-like molecule.
| MolName | N-[(Z)-naphthalen-1-ylmethylideneamino]-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propanamide |
| MolecularFormula | C26H25N3O |
| Smiles | O=C(CCn1c(cccc2)c2c2c1CCCC2)N/N=C\c1cccc2ccccc12 |
| InChI | InChI=1S/C26H25N3O/c30-26(28-27-18-20-10-7-9-19-8-1-2-11-21(19)20)16-17-29-24-14-5-3-12-22(24)23-13-4-6-15-25(23)29/h1-3,5,7-12,14,18H,4,6,13,15-17H2,(H,28,30) |
| InChIK | HSJQAUJVHCASDA-UHFFFAOYSA-N |
| TotalMolweight | 395.505 |
| Molweight | 395.505 |
| MonoisotopicMass | 395.199762 |
| CLogP | 5.728 |
| CLogS | -6.368 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 314.45 |
| Relative PSA | 0.13637 |
| PolarSurfaceArea | 46.39 |
| Druglikeness | 1.3814 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.53333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 19 |
| Sp3Atoms | 6 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-naphthalen-1-ylmethylideneamino]-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propanamide | 2 - N-[(Z)-naphthalen-1-ylmethylideneamino]-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propanamide
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