Molecule

ID:84752

General Information
Structure
Molecular Formula
C₇H₉NO
Molecular Mass
123.15246
Exact Mass
123.06841391
Charge
0
InChI
InChI=1S/C7H9NO/c1-5-3-4-7(9)6(2)8-5/h3-4,9H,1-2H3
InChIKey
AMQJAKKATFMFTR-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(c(n1)C)O
Isomeric Smiles
n1c(c(ccc1C)O)C
Calculated Properties
JChem
Acid pKa
10.110497
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.4042173
LogD (pH = 7.4)
0.641432
Log P
0.7147484
Molar Refractivity
35.065
Polarizability
13.562479
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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