Molecule

ID:74496

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₇N
Molecular Mass
185.34948
Exact Mass
185.21434987
Charge
0
InChI
InChI=1S/C12H27N/c1-3-5-7-9-11-13-12-10-8-6-4-2/h13H,3-12H2,1-2H3
InChIKey
PXSXRABJBXYMFT-UHFFFAOYSA-N
Canonic Smiles
CCCCCCNCCCCCC
Isomeric Smiles
N(CCCCCC)CCCCCC
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.99541706
LogD (pH = 7.4)
1.2415328
Log P
4.2331944
Molar Refractivity
60.8446
Polarizability
24.42432
Polar Surface Area
12.03
Rotatable Bonds
10
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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