Molecule

ID:25814

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₆N₂O
Molecular Mass
214.34764
Exact Mass
214.20451346
Charge
0
InChI
InChI=1S/C12H26N2O/c1-2-3-4-5-6-7-8-9-10-11-12(15)14-13/h2-11,13H2,1H3,(H,14,15)
InChIKey
YTQHSQQSLTYMSL-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCC(=O)NN
Isomeric Smiles
C(=O)(NN)CCCCCCCCCCC
Calculated Properties
JChem
Acid pKa
13.358329
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
3.3723364
LogD (pH = 7.4)
3.3748572
Log P
3.3748899
Molar Refractivity
64.9859
Polarizability
25.46934
Polar Surface Area
55.12
Rotatable Bonds
10
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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