[(E)-(1-amino-2-naphthalen-1-ylethylidene)amino] furan-2-carboxylate
Formula:C17H14N2O3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[(E)-(1-amino-2-naphthalen-1-ylethylidene)amino] furan-2-carboxylate is a drug-like molecule.
| MolName | [(E)-(1-amino-2-naphthalen-1-ylethylidene)amino] furan-2-carboxylate |
| MolecularFormula | C17H14N2O3 |
| Smiles | N/C(/Cc1cccc2ccccc12)=N/OC(c1ccco1)=O |
| InChI | InChI=1S/C17H14N2O3/c18-16(19-22-17(20)15-9-4-10-21-15)11-13-7-3-6-12-5-1-2-8-14(12)13/h1-10H,11H2,(H2,18,19) |
| InChIK | SWCJRRDNSGGHNI-UHFFFAOYSA-N |
| TotalMolweight | 294.309 |
| Molweight | 294.309 |
| MonoisotopicMass | 294.100443 |
| CLogP | 3.4533 |
| CLogS | -4.789 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 230.31 |
| Relative PSA | 0.27758 |
| PolarSurfaceArea | 77.82 |
| Druglikeness | -2.0421 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 2 |
| StereoCon |
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