Molecule

ID:117057

General Information
Structure
MolImage
Molecular Formula
C₇H₉NO₂
Molecular Mass
139.15186
Exact Mass
139.06332853
Charge
0
InChI
InChI=1S/C7H9NO2/c1-10-6-4-2-3-5(9)7(6)8/h2-4,9H,8H2,1H3
InChIKey
DAHKWRIKVUJPMO-UHFFFAOYSA-N
Canonic Smiles
COc1cccc(c1N)O
Isomeric Smiles
c1(c(O)cccc1OC)N
Calculated Properties
JChem
Acid pKa
10.330521
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.63701874
LogD (pH = 7.4)
0.6818938
Log P
0.6830833
Molar Refractivity
39.2025
Polarizability
14.598254
Polar Surface Area
55.48
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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