Molecule

ID:123403

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₇N
Molecular Mass
185.34948
Exact Mass
185.21434987
Charge
0
InChI
InChI=1S/C12H27N/c1-4-7-10-13(11-8-5-2)12-9-6-3/h4-12H2,1-3H3
InChIKey
IMFACGCPASFAPR-UHFFFAOYSA-N
Canonic Smiles
CCCCN(CCCC)CCCC
Isomeric Smiles
N(CCCC)(CCCC)CCCC
Calculated Properties
JChem
LogD (pH = 7.4)
1.00
LogD (pH = 5.5)
0.67
Log P
4.16
Rotatable Bonds
9
H Donor
0
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
10.82
Polar Surface Area
3.24
Polarizability
25.87
Molar Refractivity
61.61
LOG S
-3.05
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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