Molecule

ID:50880

General Information
Structure
MolImage
Molecular Formula
C₈H₁₅NO₂
Molecular Mass
157.2102
Exact Mass
157.11027873
Charge
0
InChI
InChI=1S/C8H15NO2/c1-2-9-5-3-7(4-6-9)8(10)11/h7H,2-6H2,1H3,(H,10,11)
InChIKey
IDHMTYNXPJWISA-UHFFFAOYSA-N
Canonic Smiles
CCN1CCC(CC1)C(=O)O
Isomeric Smiles
C(=O)(C1CCN(CC1)CC)O
Calculated Properties
JChem
Acid pKa
4.300095
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.1309223
LogD (pH = 7.4)
-2.111225
Log P
-2.1104465
Molar Refractivity
43.1186
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
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Molecule Details
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References
Bioactivity
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