Molecule

ID:70470

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₅N
Molecular Mass
195.3443
Exact Mass
195.19869981
Charge
0
InChI
InChI=1S/C13H25N/c1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h12-13H,2-11H2,1H3
InChIKey
GSCCALZHGUWNJW-UHFFFAOYSA-N
Canonic Smiles
CN(C1CCCCC1)C1CCCCC1
Isomeric Smiles
C1(CCCCC1)N(C)C1CCCCC1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
0.28992125
LogD (pH = 7.4)
0.45688906
Log P
3.7887106
Molar Refractivity
62.0165
Polarizability
24.784561
Polar Surface Area
3.24
Rotatable Bonds
2
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
References
Bioactivity
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