Molecule

ID:50175

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₃N
Molecular Mass
181.31772
Exact Mass
181.18304974
Charge
0
InChI
InChI=1S/C12H23N/c1-2-4-11(5-3-1)6-7-12-8-9-13-10-12/h11-13H,1-10H2
InChIKey
DPAQXQNDWXXIJB-UHFFFAOYSA-N
Canonic Smiles
C1CCC(CC1)CCC1CNCC1
Isomeric Smiles
N1CC(CCC2CCCCC2)CC1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.17253657
LogD (pH = 7.4)
-0.10801083
Log P
3.068597
Molar Refractivity
57.0584
Polarizability
22.937813
Polar Surface Area
12.03
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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