N-[(Z)-[4-[(4-iodophenyl)methoxy]phenyl]methylideneamino]-5-nitropyridin-2-amine
Formula:C19H15N4O3I
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[4-[(4-iodophenyl)methoxy]phenyl]methylideneamino]-5-nitropyridin-2-amine is not a drug-like molecule.
| MolName | N-[(Z)-[4-[(4-iodophenyl)methoxy]phenyl]methylideneamino]-5-nitropyridin-2-amine |
| MolecularFormula | C19H15N4O3I |
| Smiles | [O-][N+](c(cc1)cnc1N/N=C\c(cc1)ccc1OCc(cc1)ccc1I)=O |
| InChI | InChI=1S/C19H15IN4O3/c20-16-5-1-15(2-6-16)13-27-18-8-3-14(4-9-18)11-22-23-19-10-7-17(12-21-19)24(25)26/h1-12H,13H2,(H,21,23) |
| InChIK | KJIUUGWRSOWBHE-UHFFFAOYSA-N |
| TotalMolweight | 474.253 |
| Molweight | 474.253 |
| MonoisotopicMass | 474.018889 |
| CLogP | 5.055 |
| CLogS | -5.696 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 301.47 |
| Relative PSA | 0.24666 |
| PolarSurfaceArea | 92.33 |
| Druglikeness | -2.9826 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.74074 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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