Molecule

ID:65965

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₃NO₂
Molecular Mass
179.21572
Exact Mass
179.09462866
Charge
0
InChI
InChI=1S/C10H13NO2/c12-9-7-5-1-2-6(4-3-5)8(7)10(13)11-9/h5-8H,1-4H2,(H,11,12,13)/t5?,6?,7-,8+
InChIKey
GZCMBOIXKWSTSJ-HYNHDVCUSA-N
Canonic Smiles
O=C1NC(=O)[C@@H]2[C@H]1C1CCC2CC1
Isomeric Smiles
N1C(=O)[C@@H]2[C@H](C1=O)C1CCC2CC1
Calculated Properties
JChem
Acid pKa
10.418333
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.62821954
LogD (pH = 7.4)
0.62781334
Log P
0.62822473
Molar Refractivity
46.1252
Polarizability
18.27364
Polar Surface Area
46.17
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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