Molecule

ID:21881

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂₄Cl₂N₂O
Molecular Mass
259.21636
Exact Mass
258.12656876
Charge
0
InChI
InChI=1S/C10H22N2O.2ClH/c1-9(2)8-12-5-4-11-7-10(12)3-6-13;;/h9-11,13H,3-8H2,1-2H3;2*1H
InChIKey
CUMMJBSOGRDKNI-UHFFFAOYSA-N
Canonic Smiles
OCCC1CNCCN1CC(C)C.Cl.Cl
Isomeric Smiles
N1(CC(C)C)C(CCO)CNCC1.Cl.Cl
Calculated Properties
JChem
Acid pKa
15.921775
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-3.0807335
LogD (pH = 7.4)
-2.0833354
Log P
0.32816908
Molar Refractivity
55.3156
Polarizability
22.094809
Polar Surface Area
35.5
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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