Molecule

ID:10698

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₂N₂
Molecular Mass
182.30578
Exact Mass
182.17829871
Charge
0
InChI
InChI=1S/C11H22N2/c1-3-13(4-2)11-9-7-5-6-8-10-12/h3-9,11H2,1-2H3
InChIKey
ZTWBNXMVYJDZOX-UHFFFAOYSA-N
Canonic Smiles
N#CCCCCCCN(CC)CC
Isomeric Smiles
C(N(CC)CCCCCCC#N)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-1.1822253
LogD (pH = 7.4)
-0.52535754
Log P
2.2990975
Molar Refractivity
57.8066
Polarizability
22.37603
Polar Surface Area
27.03
Rotatable Bonds
8
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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