N-[(Z)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]-2-(naphthalen-1-ylamino)acetamide
Formula:C23H17N3O2Cl2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]-2-(naphthalen-1-ylamino)acetamide is not a drug-like molecule.
| MolName | N-[(Z)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]-2-(naphthalen-1-ylamino)acetamide |
| MolecularFormula | C23H17N3O2Cl2 |
| Smiles | O=C(CNc1cccc2ccccc12)N/N=C\c1ccc(-c(cc2)cc(Cl)c2Cl)o1 |
| InChI | InChI=1S/C23H17Cl2N3O2/c24-19-10-8-16(12-20(19)25)22-11-9-17(30-22)13-27-28-23(29)14-26-21-7-3-5-15-4-1-2-6-18(15)21/h1-13,26H,14H2,(H,28,29) |
| InChIK | XPTXPUXEFRXWGW-UHFFFAOYSA-N |
| TotalMolweight | 438.313 |
| Molweight | 438.313 |
| MonoisotopicMass | 437.069781 |
| CLogP | 5.8388 |
| CLogS | -8.081 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 327.1 |
| Relative PSA | 0.18826 |
| PolarSurfaceArea | 66.63 |
| Druglikeness | 7.0424 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.63333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 1 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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1 - N-[(Z)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]-2-(naphthalen-1-ylamino)acetamide | 2 - N-[(Z)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]-2-(naphthalen-1-ylamino)acetamide
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