1-N',7-N'-diaminoheptanediimidamide
Formula:C7H18N6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-N',7-N'-diaminoheptanediimidamide is a drug-like molecule.
| MolName | 1-N',7-N'-diaminoheptanediimidamide |
| MolecularFormula | C7H18N6 |
| Smiles | N/C(/CCCCC/C(/N)=N\N)=N/N |
| InChI | InChI=1S/C7H18N6/c8-6(12-10)4-2-1-3-5-7(9)13-11/h1-5,10-11H2,(H2,8,12)(H2,9,13) |
| InChIK | SSGMUQSPDITXAD-UHFFFAOYSA-N |
| TotalMolweight | 186.262 |
| Molweight | 186.262 |
| MonoisotopicMass | 186.159294 |
| CLogP | -0.1512 |
| CLogS | -2.342 |
| H Acceptors | 6 |
| H Donors | 4 |
| TotalSurfaceArea | 162.32 |
| Relative PSA | 0.51811 |
| PolarSurfaceArea | 128.8 |
| Druglikeness | -10.782 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.84615 |
| Fragments | 1 |
| Non HAtoms | 13 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Sp3Atoms | 7 |
| Symmetricatoms | 6 |
| BasicNitrogens | 2 |
| StereoCon |
Click to Load Molecule:
1 - 1-N',7-N'-diaminoheptanediimidamide | 2 - 1-N',7-N'-diaminoheptanediimidamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off