Molecule

ID:70103

General Information
Structure
MolImage
Molecular Formula
C₈H₂₀Cl₂N₂
Molecular Mass
215.1638
Exact Mass
214.10035401
Charge
0
InChI
InChI=1S/C8H18N2.2ClH/c1-9-7-5-3-4-6-8(7)10-2;;/h7-10H,3-6H2,1-2H3;2*1H/t7-,8-;;/m1../s1
InChIKey
UDYXZFBJGBDHHP-RHJRFJOKSA-N
Canonic Smiles
CN[C@@H]1CCCC[C@H]1NC.Cl.Cl
Isomeric Smiles
[C@@H]1([C@@H](CCCC1)NC)NC.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-4.1429214
LogD (pH = 7.4)
-2.0264766
Log P
0.85718703
Molar Refractivity
43.5012
Polarizability
17.811394
Polar Surface Area
24.06
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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