Molecule

ID:71701

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₀N₂O
Molecular Mass
210.2313
Exact Mass
210.07931295
Charge
0
InChI
InChI=1S/C13H10N2O/c16-13-9-5-1-2-6-10(9)14-11-7-3-4-8-12(11)15-13/h1-8,14H,(H,15,16)
InChIKey
KVVFXAAMMFTLGN-UHFFFAOYSA-N
Canonic Smiles
O=c1[nH]c2ccccc2[nH]c2c1cccc2
Isomeric Smiles
c1ccc2c(c1)[nH]c(=O)c1c([nH]2)cccc1
Calculated Properties
JChem
Acid pKa
11.820882
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
3.8318105
LogD (pH = 7.4)
3.831795
Log P
3.8318105
Molar Refractivity
64.0197
Polarizability
23.345932
Polar Surface Area
41.13
Rotatable Bonds
0
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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