Molecule

ID:30307

General Information
Structure
MolImage
Molecular Formula
C₁₁H₉NO₃
Molecular Mass
203.19406
Exact Mass
203.05824315
Charge
0
InChI
InChI=1S/C11H9NO3/c1-6-9(11(14)15)7-4-2-3-5-8(7)12-10(6)13/h2-5H,1H3,(H,12,13)(H,14,15)
InChIKey
WPRPBCUZWXWVLY-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1c(C)c(O)nc2c1cccc2
Isomeric Smiles
n1c(c(c(c2c1cccc2)C(=O)O)C)O
Calculated Properties
JChem
Acid pKa
3.3552794
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
0.46197057
LogD (pH = 7.4)
-0.82114494
Log P
2.592797
Molar Refractivity
54.5711
Polarizability
21.641148
Polar Surface Area
70.42
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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