Molecule

ID:113289

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₀N₂O
Molecular Mass
210.2313
Exact Mass
210.07931295
Charge
0
InChI
InChI=1S/C13H10N2O/c16-10-7-5-9(6-8-10)13-14-11-3-1-2-4-12(11)15-13/h1-8,16H,(H,14,15)
InChIKey
REOGMBVECOGANJ-UHFFFAOYSA-N
Canonic Smiles
Oc1ccc(cc1)c1nc2c([nH]1)cccc2
Isomeric Smiles
c1(nc2c([nH]1)cccc2)c1ccc(cc1)O
Calculated Properties
JChem
Acid pKa
9.624845
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.8084762
LogD (pH = 7.4)
2.975408
Log P
2.9807088
Molar Refractivity
72.051
Polarizability
25.589384
Polar Surface Area
48.91
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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