N'-amino-1,10-phenanthroline-2-carboximidamide
Formula:C13H11N5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-amino-1,10-phenanthroline-2-carboximidamide is a drug-like molecule.
| MolName | N'-amino-1,10-phenanthroline-2-carboximidamide |
| MolecularFormula | C13H11N5 |
| Smiles | N/C(/c1nc2c3ncccc3ccc2cc1)=N/N |
| InChI | InChI=1S/C13H11N5/c14-13(18-15)10-6-5-9-4-3-8-2-1-7-16-11(8)12(9)17-10/h1-7H,15H2,(H2,14,18) |
| InChIK | PLTQNPCYDVLCRM-UHFFFAOYSA-N |
| TotalMolweight | 237.265 |
| Molweight | 237.265 |
| MonoisotopicMass | 237.101445 |
| CLogP | 1.4068 |
| CLogS | -3.594 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 179.99 |
| Relative PSA | 0.35552 |
| PolarSurfaceArea | 90.18 |
| Druglikeness | -3.0465 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 1 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 14 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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