3-(3,6-dichlorocarbazol-9-yl)-N-[(Z)-furan-2-ylmethylideneamino]propanamide
Formula:C20H15N3O2Cl2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
3-(3,6-dichlorocarbazol-9-yl)-N-[(Z)-furan-2-ylmethylideneamino]propanamide is not a drug-like molecule.
| MolName | 3-(3,6-dichlorocarbazol-9-yl)-N-[(Z)-furan-2-ylmethylideneamino]propanamide |
| MolecularFormula | C20H15N3O2Cl2 |
| Smiles | O=C(CCn1c(ccc(Cl)c2)c2c2c1ccc(Cl)c2)N/N=C\c1ccco1 |
| InChI | InChI=1S/C20H15Cl2N3O2/c21-13-3-5-18-16(10-13)17-11-14(22)4-6-19(17)25(18)8-7-20(26)24-23-12-15-2-1-9-27-15/h1-6,9-12H,7-8H2,(H,24,26) |
| InChIK | WQFHMXJMZHKWED-UHFFFAOYSA-N |
| TotalMolweight | 400.264 |
| Molweight | 400.264 |
| MonoisotopicMass | 399.054131 |
| CLogP | 5.0404 |
| CLogS | -6.301 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 293.44 |
| Relative PSA | 0.19421 |
| PolarSurfaceArea | 59.53 |
| Druglikeness | 5.9003 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 7 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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