Mol Weight - 186.257
Smiles - NCCNc1cccc2ccccc12.Cl.Cl
InChI - MZNYWPRCVDMOJG-UHFFFAOYSA-N
InChIKey - InChI=1S/C12H14N2.2ClH/c13-8-9-14-12-7-3-5-10-4-1-2-6-11(10)12;;/h1-7,14H,8-9,13H2;2*1H
| Property Name | Property Value |
| Mol Name | N-(1-Naphthyl)ethylenediamine dihydrochloride |
| Molweight | 186.257 |
| Monoisotopic Mass | 186.115698 |
| Clogp | 1.5828 |
| Clogs | -3.151 |
| H Acceptors | 2 |
| H Donors | 2 |
| Total Surface Area | 155.36 |
| Relative Psa | 0.17205 |
| Polar Surface Area | 38.05 |
| Druglikeness | -2.9975 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.64286 |
| Molecular Flexibility | 0.37604 |
| Molecular Complexity | 0.626 |
| Fragments | 3 |
| Non H Atoms | 14 |
| Non Ch Atoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bonds | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3 Atoms | 3 |
| Amines | 2 |
| Alkyl Amines | 1 |
| Aromatic Amines | 1 |
| Basic Nitrogens | 1 |
| Smiles | NCCNc1cccc2ccccc12.Cl.Cl |
| InChIKey | InChI=1S/C12H14N2.2ClH/c13-8-9-14-12-7-3-5-10-4-1-2-6-11(10)12;;/h1-7,14H,8-9,13H2;2*1H |
| InChI | MZNYWPRCVDMOJG-UHFFFAOYSA-N |
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1 — N-(1-Naphthyl)ethylenediamine dihydrochloride | 2 — N-(1-Naphthyl)ethylenediamine dihydrochloride