[(E)-[amino-(4-iodophenyl)methylidene]amino] naphthalene-2-carboxylate
Formula:C18H13N2O2I
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[(E)-[amino-(4-iodophenyl)methylidene]amino] naphthalene-2-carboxylate is a drug-like molecule.
| MolName | [(E)-[amino-(4-iodophenyl)methylidene]amino] naphthalene-2-carboxylate |
| MolecularFormula | C18H13N2O2I |
| Smiles | N/C(/c(cc1)ccc1I)=N/OC(c1cc2ccccc2cc1)=O |
| InChI | InChI=1S/C18H13IN2O2/c19-16-9-7-13(8-10-16)17(20)21-23-18(22)15-6-5-12-3-1-2-4-14(12)11-15/h1-11H,(H2,20,21) |
| InChIK | JJNGRBZPWQVNPY-UHFFFAOYSA-N |
| TotalMolweight | 416.213 |
| Molweight | 416.213 |
| MonoisotopicMass | 416.002176 |
| CLogP | 4.7036 |
| CLogS | -6.158 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 253.14 |
| Relative PSA | 0.19681 |
| PolarSurfaceArea | 64.68 |
| Druglikeness | -2.134 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
Click to Load Molecule:
1 - [(E)-[amino-(4-iodophenyl)methylidene]amino] naphthalene-2-carboxylate | 2 - [(E)-[amino-(4-iodophenyl)methylidene]amino] naphthalene-2-carboxylate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off