N-[(Z)-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-2-naphthalen-1-ylacetamide
Formula:C28H21N3OCl2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-2-naphthalen-1-ylacetamide is not a drug-like molecule.
| MolName | N-[(Z)-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-2-naphthalen-1-ylacetamide |
| MolecularFormula | C28H21N3OCl2 |
| Smiles | O=C(Cc1cccc2ccccc12)N/N=C\c1cn(Cc(cc2)cc(Cl)c2Cl)c2c1cccc2 |
| InChI | InChI=1S/C28H21Cl2N3O/c29-25-13-12-19(14-26(25)30)17-33-18-22(24-10-3-4-11-27(24)33)16-31-32-28(34)15-21-8-5-7-20-6-1-2-9-23(20)21/h1-14,16,18H,15,17H2,(H,32,34) |
| InChIK | UXVMMYVHSISGJI-UHFFFAOYSA-N |
| TotalMolweight | 486.401 |
| Molweight | 486.401 |
| MonoisotopicMass | 485.106166 |
| CLogP | 7.1358 |
| CLogS | -7.742 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 363.51 |
| Relative PSA | 0.11796 |
| 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 | 0.55882 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| 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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1 - N-[(Z)-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-2-naphthalen-1-ylacetamide | 2 - N-[(Z)-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-2-naphthalen-1-ylacetamide
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