Molecule

ID:30583

General Information
Structure
Molecular Formula
C₈H₁₅NO₂
Molecular Mass
157.2102
Exact Mass
157.11027873
Charge
0
InChI
InChI=1S/C8H15NO2/c10-8(11)7-9-5-3-1-2-4-6-9/h1-7H2,(H,10,11)
InChIKey
VVKHVWUCJZPGJH-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CN1CCCCCC1
Isomeric Smiles
N1(CC(=O)O)CCCCCC1
Calculated Properties
JChem
Acid pKa
1.9668888
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.7675767
LogD (pH = 7.4)
-1.7677177
Log P
-1.7675112
Molar Refractivity
42.8157
Polarizability
16.785397
Polar Surface Area
40.54
Rotatable Bonds
2
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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