Molecule

ID:3224

General Information
Structure
Molecular Formula
C₇H₁₃NO
Molecular Mass
127.18422
Exact Mass
127.09971404
Charge
0
InChI
InChI=1S/C7H13NO/c9-6-8-7-4-2-1-3-5-7/h6-7H,1-5H2,(H,8,9)
InChIKey
SWGXDLRCJNEEGZ-UHFFFAOYSA-N
Canonic Smiles
O=CNC1CCCCC1
Isomeric Smiles
O=CNC1CCCCC1
Calculated Properties
JChem
LogD (pH = 7.4)
0.94
LogD (pH = 5.5)
0.94
Log P
0.94
Rotatable Bonds
1
H Donor
1
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
-0.90
Polar Surface Area
29.10
Polarizability
14.44
Molar Refractivity
35.89
LOG S
-1.14
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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