[(E)-(1-amino-2-naphthalen-1-ylethylidene)amino] 4-fluorobenzoate
Formula:C19H15N2O2F
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[(E)-(1-amino-2-naphthalen-1-ylethylidene)amino] 4-fluorobenzoate is a drug-like molecule.
| MolName | [(E)-(1-amino-2-naphthalen-1-ylethylidene)amino] 4-fluorobenzoate |
| MolecularFormula | C19H15N2O2F |
| Smiles | N/C(/Cc1cccc2ccccc12)=N/OC(c(cc1)ccc1F)=O |
| InChI | InChI=1S/C19H15FN2O2/c20-16-10-8-14(9-11-16)19(23)24-22-18(21)12-15-6-3-5-13-4-1-2-7-17(13)15/h1-11H,12H2,(H2,21,22) |
| InChIK | OCEQNEAPUCAHGF-UHFFFAOYSA-N |
| TotalMolweight | 322.338 |
| Molweight | 322.338 |
| MonoisotopicMass | 322.111756 |
| CLogP | 4.3654 |
| CLogS | -5.421 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 246.97 |
| Relative PSA | 0.20172 |
| PolarSurfaceArea | 64.68 |
| Druglikeness | -4.169 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.625 |
| 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 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - [(E)-(1-amino-2-naphthalen-1-ylethylidene)amino] 4-fluorobenzoate | 2 - [(E)-(1-amino-2-naphthalen-1-ylethylidene)amino] 4-fluorobenzoate
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