Molecule

ID:70301

General Information
Structure
MolImage
Molecular Formula
C₇H₉NO
Molecular Mass
123.15246
Exact Mass
123.06841391
Charge
0
InChI
InChI=1S/C7H9NO/c8-7-3-1-2-6(4-7)5-9/h1-4,9H,5,8H2
InChIKey
OJZQOQNSUZLSMV-UHFFFAOYSA-N
Canonic Smiles
OCc1cccc(c1)N
Isomeric Smiles
C(O)c1cc(ccc1)N
Calculated Properties
JChem
Acid pKa
15.115996
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
0.35430697
LogD (pH = 7.4)
0.37667722
Log P
0.37697008
Molar Refractivity
37.5743
Polarizability
13.922902
Polar Surface Area
46.25
Rotatable Bonds
1
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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