Molecule

ID:50160

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₅N
Molecular Mass
183.3336
Exact Mass
183.19869981
Charge
0
InChI
InChI=1S/C12H25N/c1-3-5-6-11(4-2)9-12-7-8-13-10-12/h11-13H,3-10H2,1-2H3
InChIKey
PHZDGGKMKGOWTA-UHFFFAOYSA-N
Canonic Smiles
CCCCC(CC1CNCC1)CC
Isomeric Smiles
N1CC(CC(CC)CCCC)CC1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.2911902
LogD (pH = 7.4)
0.35577378
Log P
3.532323
Molar Refractivity
58.8606
Polarizability
23.680191
Polar Surface Area
12.03
Rotatable Bonds
6
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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