Molecule

ID:88323

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)7-4-5/h2-4H,1H3,(H,7,8)
InChIKey
SOHMZGMHXUQHGE-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(=O)[nH]c1
Isomeric Smiles
[nH]1c(=O)ccc(c1)C
Calculated Properties
JChem
Acid pKa
11.650508
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.2602229
LogD (pH = 7.4)
0.26020157
Log P
0.26022318
Molar Refractivity
32.3273
Polarizability
11.777422
Polar Surface Area
29.1
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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