Molecule

ID:73529

General Information
Structure
MolImage
Molecular Formula
C₇H₉NO
Molecular Mass
123.15246
Exact Mass
123.06841391
Charge
0
InChI
InChI=1S/C7H9NO/c1-6(9)7-4-2-3-5-8-7/h2-6,9H,1H3
InChIKey
PPHIIIRFJKDTLG-UHFFFAOYSA-N
Canonic Smiles
CC(c1ccccn1)O
Isomeric Smiles
n1ccccc1C(O)C
Calculated Properties
JChem
Acid pKa
14.08754
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.5874003
LogD (pH = 7.4)
0.637775
Log P
0.63845974
Molar Refractivity
34.6887
Polarizability
13.724094
Polar Surface Area
33.12
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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