Molecule

ID:46429

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₆ClNO₂
Molecular Mass
251.79334
Exact Mass
251.16520676
Charge
0
InChI
InChI=1S/C12H25NO2.ClH/c1-2-8-14-10-11-15-9-6-12-5-3-4-7-13-12;/h12-13H,2-11H2,1H3;1H
InChIKey
YZPOBVGEAGAXMK-UHFFFAOYSA-N
Canonic Smiles
CCCOCCOCCC1CCCCN1.Cl
Isomeric Smiles
N1C(CCOCCOCCC)CCCC1.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.6689712
LogD (pH = 7.4)
-1.2120283
Log P
1.5625938
Molar Refractivity
62.7306
Polarizability
25.012548
Polar Surface Area
30.49
Rotatable Bonds
8
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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