N-[(Z)-[1-[(2-chlorophenyl)methyl]indol-3-yl]methylideneamino]-2-naphthalen-1-ylacetamide
Formula:C28H22N3OCl
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[1-[(2-chlorophenyl)methyl]indol-3-yl]methylideneamino]-2-naphthalen-1-ylacetamide is not a drug-like molecule.
| MolName | N-[(Z)-[1-[(2-chlorophenyl)methyl]indol-3-yl]methylideneamino]-2-naphthalen-1-ylacetamide |
| MolecularFormula | C28H22N3OCl |
| Smiles | O=C(Cc1cccc2ccccc12)N/N=C\c1cn(Cc(cccc2)c2Cl)c2c1cccc2 |
| InChI | InChI=1S/C28H22ClN3O/c29-26-14-5-2-9-22(26)18-32-19-23(25-13-4-6-15-27(25)32)17-30-31-28(33)16-21-11-7-10-20-8-1-3-12-24(20)21/h1-15,17,19H,16,18H2,(H,31,33) |
| InChIK | IEYUFPHNIVOGIH-UHFFFAOYSA-N |
| TotalMolweight | 451.956 |
| Molweight | 451.956 |
| MonoisotopicMass | 451.145139 |
| CLogP | 6.5298 |
| CLogS | -7.006 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 348.09 |
| Relative PSA | 0.12319 |
| PolarSurfaceArea | 46.39 |
| Druglikeness | 6.0991 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.54545 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 25 |
| Sp3Atoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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