Molecule

ID:74291

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₂N₂
Molecular Mass
182.30578
Exact Mass
182.17829871
Charge
0
InChI
InChI=1S/C11H22N2/c1-2-9-13(8-1)10-5-11-3-6-12-7-4-11/h11-12H,1-10H2
InChIKey
LLCRHLSCWWMNEC-UHFFFAOYSA-N
Canonic Smiles
N1CCC(CC1)CCN1CCCC1
Isomeric Smiles
N1CCC(CCN2CCCC2)CC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-5.6373553
LogD (pH = 7.4)
-4.4025908
Log P
1.0669408
Molar Refractivity
57.1815
Polarizability
22.610828
Polar Surface Area
15.27
Rotatable Bonds
3
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
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References
Bioactivity
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