Molecule

ID:31008

General Information
Structure
MolImage
Molecular Formula
C₇H₉NO₂
Molecular Mass
139.15186
Exact Mass
139.06332853
Charge
0
InChI
InChI=1S/C7H9NO2/c1-10-7-4-5(8)2-3-6(7)9/h2-4,9H,8H2,1H3
InChIKey
MCNBYOWWTITHIG-UHFFFAOYSA-N
Canonic Smiles
COc1cc(N)ccc1O
Isomeric Smiles
c1(cc(N)ccc1O)OC
Calculated Properties
JChem
Acid pKa
10.851663
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.5712732
LogD (pH = 7.4)
0.6813083
Log P
0.6830833
Molar Refractivity
39.2025
Polarizability
14.596716
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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