Molecule

ID:124250

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀N₂O₂
Molecular Mass
202.2093
Exact Mass
202.07422757
Charge
0
InChI
InChI=1S/C11H10N2O2/c14-9-5-3-7(4-6-9)10-12-11(15-13-10)8-1-2-8/h3-6,8,14H,1-2H2
InChIKey
HNSHSGHQGRLQRJ-UHFFFAOYSA-N
Canonic Smiles
Oc1ccc(cc1)c1noc(n1)C1CC1
Isomeric Smiles
n1c(noc1C1CC1)c1ccc(cc1)O
Calculated Properties
JChem
Acid pKa
8.991011
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.792586
LogD (pH = 7.4)
2.7817776
Log P
2.7927258
Molar Refractivity
65.906
Polarizability
21.037685
Polar Surface Area
59.15
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
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Molecule Details
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References
Bioactivity
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