Molecule

ID:48937

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂₁ClN₂O₂
Molecular Mass
236.73894
Exact Mass
236.1291556
Charge
0
InChI
InChI=1S/C10H20N2O2.ClH/c1-2-12(7-8-13)10(14)9-5-3-4-6-11-9;/h9,11,13H,2-8H2,1H3;1H
InChIKey
GMXDAHYAUVZUFC-UHFFFAOYSA-N
Canonic Smiles
OCCN(C(=O)C1CCCCN1)CC.Cl
Isomeric Smiles
C(=O)(N(CCO)CC)C1NCCCC1.Cl
Calculated Properties
JChem
Acid pKa
15.574195
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-3.3554823
LogD (pH = 7.4)
-1.8442843
Log P
-0.3454573
Molar Refractivity
55.3218
Polarizability
21.78275
Polar Surface Area
52.57
Rotatable Bonds
4
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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