Molecule

ID:69782

General Information
Structure
MolImage
Molecular Formula
C₇H₉NO
Molecular Mass
123.15246
Exact Mass
123.06841391
Charge
0
InChI
InChI=1S/C7H9NO/c1-5-2-3-6(8)4-7(5)9/h2-4,9H,8H2,1H3
InChIKey
DBFYESDCPWWCHN-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(c(c1)O)C
Isomeric Smiles
c1(c(ccc(c1)N)C)O
Calculated Properties
JChem
Acid pKa
10.092616
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.3146337
LogD (pH = 7.4)
1.3527744
Log P
1.3541759
Molar Refractivity
37.7805
Polarizability
13.83566
Polar Surface Area
46.25
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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