Molecule

ID:19495

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₂N₂
Molecular Mass
182.30578
Exact Mass
182.17829871
Charge
0
InChI
InChI=1S/C11H22N2/c1-3-6-13(2)11-7-9-4-5-10(8-11)12-9/h9-12H,3-8H2,1-2H3
InChIKey
ZREJVWJLHJZSFO-UHFFFAOYSA-N
Canonic Smiles
CCCN(C1CC2CCC(C1)N2)C
Isomeric Smiles
C1(CC2NC(C1)CC2)N(CCC)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-4.9255004
LogD (pH = 7.4)
-3.0993576
Log P
1.2385896
Molar Refractivity
56.2985
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
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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