Molecule

ID:113877

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₁NO
Molecular Mass
209.24324
Exact Mass
209.08406398
Charge
0
InChI
InChI=1S/C14H11NO/c1-9-8-13(16)12-7-6-10-4-2-3-5-11(10)14(12)15-9/h2-8H,1H3,(H,15,16)
InChIKey
DTKJUQZMLGXZJV-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(O)c2c(n1)c1ccccc1cc2
Isomeric Smiles
c12c(c(cc(n1)C)O)ccc1c2cccc1
Calculated Properties
JChem
Acid pKa
10.585473
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.947826
LogD (pH = 7.4)
2.947899
Log P
2.948182
Molar Refractivity
63.0019
Polarizability
26.991358
Polar Surface Area
33.12
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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