Molecule

ID:67772

General Information
Structure
MolImage
Molecular Formula
C₆H₇NO
Molecular Mass
109.12588
Exact Mass
109.05276385
Charge
0
InChI
InChI=1S/C6H7NO/c1-5-2-3-6(8)4-7-5/h2-4,8H,1H3
InChIKey
DHLUJPLHLZJUBW-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cn1)O
Isomeric Smiles
c1(ccc(cn1)O)C
Calculated Properties
JChem
Acid pKa
9.625812
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.13835017
LogD (pH = 7.4)
0.57012206
Log P
0.58337826
Molar Refractivity
30.4735
Polarizability
11.797261
Polar Surface Area
33.12
Rotatable Bonds
0
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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