1-[(Z)-(3,5-diiodo-2-prop-2-ynoxyphenyl)methylideneamino]tetrazol-5-amine
Formula:C11H8N6OI2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-[(Z)-(3,5-diiodo-2-prop-2-ynoxyphenyl)methylideneamino]tetrazol-5-amine is a drug-like molecule.
| MolName | 1-[(Z)-(3,5-diiodo-2-prop-2-ynoxyphenyl)methylideneamino]tetrazol-5-amine |
| MolecularFormula | C11H8N6OI2 |
| Smiles | C#CCOc(c(/C=N\n1nnnc1N)cc(I)c1)c1I |
| InChI | InChI=1S/C11H8I2N6O/c1-2-3-20-10-7(4-8(12)5-9(10)13)6-15-19-11(14)16-17-18-19/h1,4-6H,3H2,(H2,14,16,18) |
| InChIK | JYDUKRZSAKMLEG-UHFFFAOYSA-N |
| TotalMolweight | 494.026 |
| Molweight | 494.026 |
| MonoisotopicMass | 493.884905 |
| CLogP | 2.0579 |
| CLogS | -6.461 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 251.91 |
| Relative PSA | 0.30392 |
| PolarSurfaceArea | 91.21 |
| Druglikeness | 1.3295 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.55 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 2 |
| Aromatic Nitrogens | 4 |
| StereoCon |
Click to Load Molecule:
1 - 1-[(Z)-(3,5-diiodo-2-prop-2-ynoxyphenyl)methylideneamino]tetrazol-5-amine | 2 - 1-[(Z)-(3,5-diiodo-2-prop-2-ynoxyphenyl)methylideneamino]tetrazol-5-amine
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off