N-[(Z)-(5-bromofuran-2-yl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide
Formula:C17H14N3O2Br
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-(5-bromofuran-2-yl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide is a drug-like molecule.
| MolName | N-[(Z)-(5-bromofuran-2-yl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide |
| MolecularFormula | C17H14N3O2Br |
| Smiles | O=C(CNc1cccc2ccccc12)N/N=C\c(o1)ccc1Br |
| InChI | InChI=1S/C17H14BrN3O2/c18-16-9-8-13(23-16)10-20-21-17(22)11-19-15-7-3-5-12-4-1-2-6-14(12)15/h1-10,19H,11H2,(H,21,22) |
| InChIK | GRMWDKBWIVTHIP-UHFFFAOYSA-N |
| TotalMolweight | 372.221 |
| Molweight | 372.221 |
| MonoisotopicMass | 371.026938 |
| CLogP | 3.6992 |
| CLogS | -5.428 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 255.13 |
| Relative PSA | 0.24137 |
| PolarSurfaceArea | 66.63 |
| Druglikeness | 3.7122 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 1 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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