Molecule

ID:58130

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₇NO
Molecular Mass
167.24808
Exact Mass
167.13101417
Charge
0
InChI
InChI=1S/C10H17NO/c1-8-2-4-10(5-3-8)6-9(12)11-7-10/h8H,2-7H2,1H3,(H,11,12)
InChIKey
MTJORIHKWFSACL-UHFFFAOYSA-N
Canonic Smiles
CC1CCC2(CC1)CNC(=O)C2
Isomeric Smiles
C12(CCC(CC1)C)CNC(=O)C2
Calculated Properties
JChem
Acid pKa
14.981805
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.3203628
LogD (pH = 7.4)
1.3203635
Log P
1.3203635
Molar Refractivity
47.677
Polarizability
18.897352
Polar Surface Area
29.1
Rotatable Bonds
0
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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