Molecule
ID:86670
General Information
Molecular Formula
C₇H₈N₂O₂
Molecular Mass
152.15062
Exact Mass
152.05857751
Charge
0
InChI
InChI=1S/C7H8N2O2/c1-11-6-4-5(7(8)10)2-3-9-6/h2-4H,1H3,(H2,8,10)
InChIKey
OWHCHZOJASPGLJ-UHFFFAOYSA-N
Canonic Smiles
COc1nccc(c1)C(=O)N
Isomeric Smiles
n1c(cc(cc1)C(=O)N)OC
Calculated Properties
JChem
Acid pKa
13.3495245
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.042968817
LogD (pH = 7.4)
0.04299999
Log P
0.04299995
Molar Refractivity
39.7562
Polarizability
14.827973
Polar Surface Area
65.21
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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