Molecule

ID:55499

General Information
Structure
MolImage
Molecular Formula
C₇H₉NO₂
Molecular Mass
139.15186
Exact Mass
139.06332853
Charge
0
InChI
InChI=1S/C7H9NO2/c8-4-5-1-2-6(9)3-7(5)10/h1-3,9-10H,4,8H2
InChIKey
BJJYHNCUAZNAOP-UHFFFAOYSA-N
Canonic Smiles
NCc1ccc(cc1O)O
Isomeric Smiles
c1(cc(ccc1CN)O)O
Calculated Properties
JChem
Acid pKa
8.305572
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
-2.4518762
LogD (pH = 7.4)
-1.306673
Log P
-0.48743716
Molar Refractivity
38.4932
Polarizability
14.900354
Polar Surface Area
66.48
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
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Molecule Details
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References
Bioactivity
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