Molecule

ID:15038

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀O₃
Molecular Mass
190.1953
Exact Mass
190.06299418
Charge
0
InChI
InChI=1S/C11H10O3/c12-10-3-1-2-7-6-8(11(13)14)4-5-9(7)10/h4-6H,1-3H2,(H,13,14)
InChIKey
QSQVJZPPZDEILK-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1ccc2c(c1)CCCC2=O
Isomeric Smiles
c1c(ccc2C(=O)CCCc12)C(=O)O
Calculated Properties
JChem
Acid pKa
3.7502115
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.18841374
LogD (pH = 7.4)
-1.3458343
Log P
1.9387076
Molar Refractivity
51.5829
Polarizability
19.356394
Polar Surface Area
54.37
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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