Molecule

ID:33186

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₅NO₂
Molecular Mass
181.2316
Exact Mass
181.11027873
Charge
0
InChI
InChI=1S/C10H15NO2/c12-9-4-6-11(7-5-9)10(13)8-2-1-3-8/h8H,1-7H2
InChIKey
URNXHTHTQNNCLM-UHFFFAOYSA-N
Canonic Smiles
O=C(C1CCC1)N1CCC(=O)CC1
Isomeric Smiles
N1(C(=O)C2CCC2)CCC(=O)CC1
Calculated Properties
JChem
Acid pKa
18.673975
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.6243918
LogD (pH = 7.4)
0.62439203
Log P
0.62439203
Molar Refractivity
48.7349
Polarizability
18.990404
Polar Surface Area
37.38
Rotatable Bonds
1
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
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References
Bioactivity
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