Molecule

ID:124705

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀N₂O
Molecular Mass
174.1992
Exact Mass
174.07931295
Charge
0
InChI
InChI=1S/C10H10N2O/c1-13-9-4-2-8(3-5-9)10-6-11-7-12-10/h2-7H,1H3,(H,11,12)
InChIKey
WQROVAMZYXDXAB-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)c1c[nH]cn1
Isomeric Smiles
n1c(c2ccc(cc2)OC)c[nH]c1
Calculated Properties
JChem
Acid pKa
13.810387
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.2522508
LogD (pH = 7.4)
1.7168362
Log P
1.7301803
Molar Refractivity
50.2402
Polarizability
20.635778
Polar Surface Area
37.91
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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