[(E)-(1-amino-2-naphthalen-1-ylethylidene)amino] 4-iodobenzoate
Formula:C19H15N2O2I
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[(E)-(1-amino-2-naphthalen-1-ylethylidene)amino] 4-iodobenzoate is a drug-like molecule.
| MolName | [(E)-(1-amino-2-naphthalen-1-ylethylidene)amino] 4-iodobenzoate |
| MolecularFormula | C19H15N2O2I |
| Smiles | N/C(/Cc1cccc2ccccc12)=N/OC(c(cc1)ccc1I)=O |
| InChI | InChI=1S/C19H15IN2O2/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 | WOUWXOGTAQAIHD-UHFFFAOYSA-N |
| TotalMolweight | 430.24 |
| Molweight | 430.24 |
| MonoisotopicMass | 430.017826 |
| CLogP | 4.7017 |
| CLogS | -6.123 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 266.9 |
| Relative PSA | 0.18666 |
| PolarSurfaceArea | 64.68 |
| Druglikeness | -2.2182 |
| 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-iodobenzoate | 2 - [(E)-(1-amino-2-naphthalen-1-ylethylidene)amino] 4-iodobenzoate
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