Molecule

ID:46331

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₆ClNO₃
Molecular Mass
267.79274
Exact Mass
267.16012138
Charge
0
InChI
InChI=1S/C12H25NO3.ClH/c1-14-8-9-16-11-10-15-7-4-12-2-5-13-6-3-12;/h12-13H,2-11H2,1H3;1H
InChIKey
ZRXYONCRMZTOHP-UHFFFAOYSA-N
Canonic Smiles
COCCOCCOCCC1CCNCC1.Cl
Isomeric Smiles
N1CCC(CCOCCOCCOC)CC1.Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-2.7300134
LogD (pH = 7.4)
-2.2736237
Log P
0.5015723
Molar Refractivity
64.7519
Polarizability
25.709827
Polar Surface Area
39.72
Rotatable Bonds
9
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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