Molecule

ID:58136

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₇NO
Molecular Mass
167.24808
Exact Mass
167.13101417
Charge
0
InChI
InChI=1S/C10H17NO/c12-9-7-10(8-11-9)5-3-1-2-4-6-10/h1-8H2,(H,11,12)
InChIKey
YXTWCCJCYBPHGQ-UHFFFAOYSA-N
Canonic Smiles
O=C1NCC2(C1)CCCCCC2
Isomeric Smiles
C12(CCCCCC1)CNC(=O)C2
Calculated Properties
JChem
Acid pKa
14.981805
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.477913
LogD (pH = 7.4)
1.4779131
Log P
1.4779131
Molar Refractivity
47.7294
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
References
Bioactivity
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