Molecule

ID:69994

General Information
Structure
MolImage
Molecular Formula
C₇H₁₅NO₂
Molecular Mass
145.1995
Exact Mass
145.11027873
Charge
0
InChI
InChI=1S/C7H15NO2/c8-6-4-2-1-3-5-7(9)10/h1-6,8H2,(H,9,10)
InChIKey
XDOLZJYETYVRKV-UHFFFAOYSA-N
Canonic Smiles
NCCCCCCC(=O)O
Isomeric Smiles
C(=O)(CCCCCCN)O
Calculated Properties
JChem
Acid pKa
4.784225
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-1.6128751
LogD (pH = 7.4)
-1.551894
Log P
-1.5528219
Molar Refractivity
39.2608
Polarizability
15.66981
Polar Surface Area
63.32
Rotatable Bonds
6
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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