Molecule

ID:50204

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₅N
Molecular Mass
195.3443
Exact Mass
195.19869981
Charge
0
InChI
InChI=1S/C13H25N/c1-2-5-12(6-3-1)8-9-13-7-4-10-14-11-13/h12-14H,1-11H2
InChIKey
VLMGCCBHYXOQCD-UHFFFAOYSA-N
Canonic Smiles
C1CCC(CC1)CCC1CCCNC1
Isomeric Smiles
N1CC(CCC2CCCCC2)CCC1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.27878237
LogD (pH = 7.4)
0.65284896
Log P
3.5131657
Molar Refractivity
61.6594
Polarizability
24.784561
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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