Molecule

ID:116165

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁NO₂
Molecular Mass
177.19984
Exact Mass
177.0789786
Charge
0
InChI
InChI=1S/C10H11NO2/c12-9-5-1-7(2-6-9)10(13)11-8-3-4-8/h1-2,5-6,8,12H,3-4H2,(H,11,13)
InChIKey
PJZGKFIQQGYRGI-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccc(cc1)O)NC1CC1
Isomeric Smiles
C(=O)(NC1CC1)c1ccc(cc1)O
Calculated Properties
JChem
Acid pKa
8.475628
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.2091048
LogD (pH = 7.4)
1.1747589
Log P
1.2095613
Molar Refractivity
49.2252
Polarizability
18.565834
Polar Surface Area
49.33
Rotatable Bonds
2
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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