Molecule

ID:18999

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₂O₃
Molecular Mass
192.21118
Exact Mass
192.07864424
Charge
0
InChI
InChI=1S/C11H12O3/c1-7-4-9-5-8(6-11(12)13)2-3-10(9)14-7/h2-3,5,7H,4,6H2,1H3,(H,12,13)
InChIKey
BPMMAGXJCCLHSC-UHFFFAOYSA-N
Canonic Smiles
OC(=O)Cc1ccc2c(c1)CC(O2)C
Isomeric Smiles
O1c2c(cc(CC(=O)O)cc2)CC1C
Calculated Properties
JChem
Acid pKa
4.162038
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.55510974
LogD (pH = 7.4)
-1.1491373
Log P
1.9097863
Molar Refractivity
51.5572
Polarizability
19.924837
Polar Surface Area
46.53
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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