Molecule

ID:34124

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₂N₂
Molecular Mass
182.30578
Exact Mass
182.17829871
Charge
0
InChI
InChI=1S/C11H22N2/c12-6-8-13-7-5-10-3-1-2-4-11(10)9-13/h10-11H,1-9,12H2
InChIKey
UNOSOYOFHHRTED-UHFFFAOYSA-N
Canonic Smiles
NCCN1CCC2C(C1)CCCC2
Isomeric Smiles
C12C(CN(CC2)CCN)CCCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.5021071
LogD (pH = 7.4)
-1.2073927
Log P
1.3209552
Molar Refractivity
56.4999
Polarizability
22.610828
Polar Surface Area
29.26
Rotatable Bonds
2
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
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Molecule Details
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References
Bioactivity
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