Molecule

ID:135930

General Information
Structure
MolImage
Molecular Formula
C₇H₇NO₂
Molecular Mass
143.09190903
Exact Mass
143.0678075
Charge
0
InChI
InChI=1S/C7H7NO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,8H2,(H,9,10)/i1+1,2+1,3+1,4+1,5+1,6+1
InChIKey
RWZYAGGXGHYGMB-IDEBNGHGSA-N
Canonic Smiles
OC(=O)[13c]1[13cH][13cH][13cH][13cH][13c]1N
Isomeric Smiles
[13cH]1[13cH][13cH][13c]([13c]([13cH]1)C(=O)O)N
Calculated Properties
JChem
Acid pKa
4.8926735
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.60402405
LogD (pH = 7.4)
-1.1480052
Log P
1.4519027
Molar Refractivity
38.0146
Polarizability
13.810181
Polar Surface Area
63.32
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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