N-[(Z)-[5-(2-chlorophenyl)furan-2-yl]methylideneamino]-2-(naphthalen-2-ylamino)acetamide
Formula:C23H18N3O2Cl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[5-(2-chlorophenyl)furan-2-yl]methylideneamino]-2-(naphthalen-2-ylamino)acetamide is not a drug-like molecule.
| MolName | N-[(Z)-[5-(2-chlorophenyl)furan-2-yl]methylideneamino]-2-(naphthalen-2-ylamino)acetamide |
| MolecularFormula | C23H18N3O2Cl |
| Smiles | O=C(CNc1cc2ccccc2cc1)N/N=C\c1ccc(-c(cccc2)c2Cl)o1 |
| InChI | InChI=1S/C23H18ClN3O2/c24-21-8-4-3-7-20(21)22-12-11-19(29-22)14-26-27-23(28)15-25-18-10-9-16-5-1-2-6-17(16)13-18/h1-14,25H,15H2,(H,27,28) |
| InChIK | CHGDDDPVYQDWJO-UHFFFAOYSA-N |
| TotalMolweight | 403.868 |
| Molweight | 403.868 |
| MonoisotopicMass | 403.108754 |
| CLogP | 5.2328 |
| CLogS | -7.345 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 311.68 |
| Relative PSA | 0.19757 |
| 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 | 0.65517 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| 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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