N-[(E)-benzylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
Formula:C20H19N3O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(E)-benzylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide is a drug-like molecule.
| MolName | N-[(E)-benzylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide |
| MolecularFormula | C20H19N3O |
| Smiles | O=C(c1c2[nH]c(CCCC3)c3c2ccc1)N/N=C/c1ccccc1 |
| InChI | InChI=1S/C20H19N3O/c24-20(23-21-13-14-7-2-1-3-8-14)17-11-6-10-16-15-9-4-5-12-18(15)22-19(16)17/h1-3,6-8,10-11,13,22H,4-5,9,12H2,(H,23,24) |
| InChIK | DQUDKBMPPSWCDG-UHFFFAOYSA-N |
| TotalMolweight | 317.391 |
| Molweight | 317.391 |
| MonoisotopicMass | 317.152812 |
| CLogP | 4.4518 |
| CLogS | -5.362 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 252.7 |
| Relative PSA | 0.19786 |
| PolarSurfaceArea | 57.25 |
| Druglikeness | -0.02939 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - N-[(E)-benzylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide | 2 - N-[(E)-benzylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
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