Molecule

ID:10232

General Information
Structure
Molecular Formula
C₁₁H₂₂N₂
Molecular Mass
182.30578
Exact Mass
182.17829871
Charge
0
InChI
InChI=1S/C11H22N2/c1-2-7-13-8-5-11(6-9-13)12-10-3-4-10/h10-12H,2-9H2,1H3
InChIKey
IOZJJKNYYROPTK-UHFFFAOYSA-N
Canonic Smiles
CCCN1CCC(CC1)NC1CC1
Isomeric Smiles
C1C(CCN(C1)CCC)NC1CC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-4.327762
LogD (pH = 7.4)
-2.1721435
Log P
1.1788225
Molar Refractivity
56.6283
Polarizability
22.610828
Polar Surface Area
15.27
Rotatable Bonds
4
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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