Molecule

ID:21441

General Information
Structure
MolImage
Molecular Formula
C₇H₈N₂O₂
Molecular Mass
152.15062
Exact Mass
152.05857751
Charge
0
InChI
InChI=1S/C7H8N2O2/c1-11-6-4-2-3-5(9-6)7(8)10/h2-4H,1H3,(H2,8,10)
InChIKey
FYSOQIKOUXQYSU-UHFFFAOYSA-N
Canonic Smiles
COc1cccc(n1)C(=O)N
Isomeric Smiles
c1(cccc(n1)OC)C(=O)N
Calculated Properties
JChem
Acid pKa
13.86464
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.4288501
LogD (pH = 7.4)
0.4288504
Log P
0.42885026
Molar Refractivity
39.3842
Polarizability
14.833274
Polar Surface Area
65.21
Rotatable Bonds
2
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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