3-carbazol-9-yl-N-[(Z)-pyridin-3-ylmethylideneamino]propanamide
Formula:C21H18N4O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-carbazol-9-yl-N-[(Z)-pyridin-3-ylmethylideneamino]propanamide is a drug-like molecule.
| MolName | 3-carbazol-9-yl-N-[(Z)-pyridin-3-ylmethylideneamino]propanamide |
| MolecularFormula | C21H18N4O |
| Smiles | O=C(CCn1c(cccc2)c2c2c1cccc2)N/N=C\c1cnccc1 |
| InChI | InChI=1S/C21H18N4O/c26-21(24-23-15-16-6-5-12-22-14-16)11-13-25-19-9-3-1-7-17(19)18-8-2-4-10-20(18)25/h1-10,12,14-15H,11,13H2,(H,24,26) |
| InChIK | OOVGAPCBRYSNJD-UHFFFAOYSA-N |
| TotalMolweight | 342.401 |
| Molweight | 342.401 |
| MonoisotopicMass | 342.148061 |
| CLogP | 3.6388 |
| CLogS | -4.352 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 271.67 |
| Relative PSA | 0.19822 |
| PolarSurfaceArea | 59.28 |
| Druglikeness | 6.0883 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.57692 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 19 |
| Sp3Atoms | 2 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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