Molecule

ID:51271

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₃NO
Molecular Mass
163.21632
Exact Mass
163.09971404
Charge
0
InChI
InChI=1S/C10H13NO/c1-7-6-10(12)11-9-5-3-2-4-8(7)9/h6H,2-5H2,1H3,(H,11,12)
InChIKey
DKNZOMYQYUQHSV-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(=O)[nH]c2c1CCCC2
Isomeric Smiles
c12[nH]c(=O)cc(c1CCCC2)C
Calculated Properties
JChem
Acid pKa
12.04609
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.2090222
LogD (pH = 7.4)
1.2090136
Log P
1.2090223
Molar Refractivity
49.7512
Polarizability
18.41529
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
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Molecule Details
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References
Bioactivity
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