N-[(Z)-(3,5-diiodo-4-phenylmethoxyphenyl)methylideneamino]-5-nitropyridin-2-amine
Formula:C19H14N4O3I2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(3,5-diiodo-4-phenylmethoxyphenyl)methylideneamino]-5-nitropyridin-2-amine is not a drug-like molecule.
| MolName | N-[(Z)-(3,5-diiodo-4-phenylmethoxyphenyl)methylideneamino]-5-nitropyridin-2-amine |
| MolecularFormula | C19H14N4O3I2 |
| Smiles | [O-][N+](c(cc1)cnc1N/N=C\c(cc1I)cc(I)c1OCc1ccccc1)=O |
| InChI | InChI=1S/C19H14I2N4O3/c20-16-8-14(10-23-24-18-7-6-15(11-22-18)25(26)27)9-17(21)19(16)28-12-13-4-2-1-3-5-13/h1-11H,12H2,(H,22,24) |
| InChIK | CGAHSMBLZIQAIX-UHFFFAOYSA-N |
| TotalMolweight | 600.145 |
| Molweight | 600.145 |
| MonoisotopicMass | 599.915537 |
| CLogP | 5.4921 |
| CLogS | -6.712 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 327.75 |
| Relative PSA | 0.22688 |
| 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 | 0.67857 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 5 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - N-[(Z)-(3,5-diiodo-4-phenylmethoxyphenyl)methylideneamino]-5-nitropyridin-2-amine | 2 - N-[(Z)-(3,5-diiodo-4-phenylmethoxyphenyl)methylideneamino]-5-nitropyridin-2-amine
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