N-[(E)-pyridin-3-ylmethylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
Formula:C19H18N4O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(E)-pyridin-3-ylmethylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide is a drug-like molecule.
| MolName | N-[(E)-pyridin-3-ylmethylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide |
| MolecularFormula | C19H18N4O |
| Smiles | O=C(c1c2[nH]c(CCCC3)c3c2ccc1)N/N=C/c1cnccc1 |
| InChI | InChI=1S/C19H18N4O/c24-19(23-21-12-13-5-4-10-20-11-13)16-8-3-7-15-14-6-1-2-9-17(14)22-18(15)16/h3-5,7-8,10-12,22H,1-2,6,9H2,(H,23,24) |
| InChIK | ICKSXVSQQQMEPB-UHFFFAOYSA-N |
| TotalMolweight | 318.379 |
| Molweight | 318.379 |
| MonoisotopicMass | 318.148061 |
| CLogP | 3.4509 |
| CLogS | -4.567 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 251.46 |
| Relative PSA | 0.24246 |
| PolarSurfaceArea | 70.14 |
| 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 | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 4 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - N-[(E)-pyridin-3-ylmethylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide | 2 - N-[(E)-pyridin-3-ylmethylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
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