Molecule

ID:88824

General Information
Structure
MolImage
Molecular Formula
C₁₁H₉NO₃
Molecular Mass
203.19406
Exact Mass
203.05824315
Charge
0
InChI
InChI=1S/C11H9NO3/c1-15-9-4-2-3-7-5-8(11(13)14)6-12-10(7)9/h2-6H,1H3,(H,13,14)
InChIKey
MCODIFYTJFMYQG-UHFFFAOYSA-N
Canonic Smiles
COc1cccc2c1ncc(c2)C(=O)O
Isomeric Smiles
n1cc(cc2cccc(c12)OC)C(=O)O
Calculated Properties
JChem
Acid pKa
3.7234814
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.15060863
LogD (pH = 7.4)
-1.6672851
Log P
1.6308122
Molar Refractivity
53.6987
Polarizability
21.789528
Polar Surface Area
59.42
Rotatable Bonds
2
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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