[(E)-(1-amino-2-naphthalen-1-ylethylidene)amino] 3-bromobenzoate
Formula:C19H15N2O2Br
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[(E)-(1-amino-2-naphthalen-1-ylethylidene)amino] 3-bromobenzoate is a drug-like molecule.
| MolName | [(E)-(1-amino-2-naphthalen-1-ylethylidene)amino] 3-bromobenzoate |
| MolecularFormula | C19H15N2O2Br |
| Smiles | N/C(/Cc1cccc2ccccc12)=N/OC(c1cccc(Br)c1)=O |
| InChI | InChI=1S/C19H15BrN2O2/c20-16-9-4-8-15(11-16)19(23)24-22-18(21)12-14-7-3-6-13-5-1-2-10-17(13)14/h1-11H,12H2,(H2,21,22) |
| InChIK | PYPPEIOCNYBGOO-UHFFFAOYSA-N |
| TotalMolweight | 383.244 |
| Molweight | 383.244 |
| MonoisotopicMass | 382.031689 |
| CLogP | 4.9898 |
| CLogS | -5.941 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 259.25 |
| Relative PSA | 0.19217 |
| PolarSurfaceArea | 64.68 |
| Druglikeness | -4.619 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 2 |
| StereoCon |
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