Molecule

ID:17690

General Information
Structure
MolImage
Molecular Formula
C₇H₉NO₂
Molecular Mass
139.15186
Exact Mass
139.06332853
Charge
0
InChI
InChI=1S/C7H9NO2/c1-10-5-2-3-7(9)6(8)4-5/h2-4,9H,8H2,1H3
InChIKey
TUADYTFWZPZZTP-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(c(c1)N)O
Isomeric Smiles
c1(cc(c(cc1)O)N)OC
Calculated Properties
JChem
Acid pKa
10.724214
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.67127806
LogD (pH = 7.4)
0.68272
Log P
0.6830833
Molar Refractivity
39.2025
Polarizability
14.596458
Polar Surface Area
55.48
Rotatable Bonds
1
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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