3-carbazol-9-yl-N-[(Z)-thiophen-2-ylmethylideneamino]propanamide
Formula:C20H17N3OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-carbazol-9-yl-N-[(Z)-thiophen-2-ylmethylideneamino]propanamide is a drug-like molecule.
| MolName | 3-carbazol-9-yl-N-[(Z)-thiophen-2-ylmethylideneamino]propanamide |
| MolecularFormula | C20H17N3OS |
| Smiles | O=C(CCn1c(cccc2)c2c2c1cccc2)N/N=C\c1cccs1 |
| InChI | InChI=1S/C20H17N3OS/c24-20(22-21-14-15-6-5-13-25-15)11-12-23-18-9-3-1-7-16(18)17-8-2-4-10-19(17)23/h1-10,13-14H,11-12H2,(H,22,24) |
| InChIK | AAZDQEPPDFVNGF-UHFFFAOYSA-N |
| TotalMolweight | 347.441 |
| Molweight | 347.441 |
| MonoisotopicMass | 347.109232 |
| CLogP | 4.5063 |
| CLogS | -5.157 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 268.85 |
| Relative PSA | 0.23522 |
| PolarSurfaceArea | 74.63 |
| Druglikeness | 7.4868 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.56 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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