Molecule

ID:19010

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₂O₃
Molecular Mass
192.21118
Exact Mass
192.07864424
Charge
0
InChI
InChI=1S/C11H12O3/c12-11(13)7-8-3-4-10-9(6-8)2-1-5-14-10/h3-4,6H,1-2,5,7H2,(H,12,13)
InChIKey
LGDANNUJLUWYSR-UHFFFAOYSA-N
Canonic Smiles
OC(=O)Cc1ccc2c(c1)CCCO2
Isomeric Smiles
c12c(OCCC2)ccc(c1)CC(=O)O
Calculated Properties
JChem
Acid pKa
4.185812
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.60565764
LogD (pH = 7.4)
-1.10528
Log P
1.93778
Molar Refractivity
51.7394
Polarizability
19.92652
Polar Surface Area
46.53
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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