Molecule

ID:85599

General Information
Structure
Molecular Formula
C₁₂H₁₇N
Molecular Mass
175.27008
Exact Mass
175.13609955
Charge
0
InChI
InChI=1S/C12H17N/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h6-10H,1-5,13H2
InChIKey
JLNMBIKJQAKQBH-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1)C1CCCCC1
Isomeric Smiles
Nc1ccc(cc1)C1CCCCC1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.1837814
LogD (pH = 7.4)
3.2582707
Log P
3.259309
Molar Refractivity
56.95
Polarizability
21.75184
Polar Surface Area
26.02
Rotatable Bonds
1
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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