Molecule

ID:48039

General Information
Structure
MolImage
Molecular Formula
C₈H₁₈Cl₂N₂O
Molecular Mass
229.14732
Exact Mass
228.07961857
Charge
0
InChI
InChI=1S/C8H16N2O.2ClH/c11-8-2-4-10(6-8)7-1-3-9-5-7;;/h7-9,11H,1-6H2;2*1H
InChIKey
NMXZOJHWTLVCKP-UHFFFAOYSA-N
Canonic Smiles
OC1CCN(C1)C1CNCC1.Cl.Cl
Isomeric Smiles
N1(CC(CC1)O)C1CCNC1.Cl.Cl
Calculated Properties
JChem
Acid pKa
14.846749
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-5.3904853
LogD (pH = 7.4)
-4.0460353
Log P
-0.9679322
Molar Refractivity
44.138
Polarizability
17.678791
Polar Surface Area
35.5
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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