Molecule

ID:67112

General Information
Structure
MolImage
Molecular Formula
C₆H₇NO
Molecular Mass
109.12588
Exact Mass
109.05276385
Charge
0
InChI
InChI=1S/C6H7NO/c1-5-4-7-3-2-6(5)8/h2-4H,1H3,(H,7,8)
InChIKey
RZUBLMCZJPIOPF-UHFFFAOYSA-N
Canonic Smiles
Cc1cnccc1O
Isomeric Smiles
c1c(c(ccn1)O)C
Calculated Properties
JChem
Acid pKa
10.968689
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.96035695
LogD (pH = 7.4)
0.9652484
Log P
0.9654295
Molar Refractivity
30.9232
Polarizability
11.795068
Polar Surface Area
33.12
Rotatable Bonds
0
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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