Molecule

ID:104183

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₁NO₃
Molecular Mass
205.20994
Exact Mass
205.07389322
Charge
0
InChI
InChI=1S/C11H11NO3/c13-10(11(14)15)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,10,12-13H,5H2,(H,14,15)
InChIKey
XGILAAMKEQUXLS-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C(Cc1c[nH]c2c1cccc2)O
Isomeric Smiles
OC(Cc1c[nH]c2ccccc12)C(=O)O
Calculated Properties
JChem
LogD (pH = 7.4)
-1.79
LogD (pH = 5.5)
-0.09
Log P
1.28
Rotatable Bonds
3
H Donor
3
H Acceptors
3
Lipinski's Rule of Five
true
Acid pKa
4.14
Polar Surface Area
73.32
Polarizability
20.58
Molar Refractivity
54.55
LOG S
-2.12
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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