Molecule

ID:71554

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₆O₄
Molecular Mass
260.28514
Exact Mass
260.10485899
Charge
0
InChI
InChI=1S/C15H16O4/c16-14(17)12-9-6-10(8-4-2-1-3-5-8)11(7-9)13(12)15(18)19/h1-5,9-13H,6-7H2,(H,16,17)(H,18,19)
InChIKey
FVOPGJHWZNSVSQ-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C1C(C(=O)O)C2CC1C(C2)c1ccccc1
Isomeric Smiles
c1cccc(c1)C1CC2C(C(C(=O)O)C1C2)C(=O)O
Calculated Properties
JChem
Acid pKa
3.979224
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
0.5509469
LogD (pH = 7.4)
-2.398161
Log P
2.1994677
Molar Refractivity
67.4234
Polarizability
26.499355
Polar Surface Area
74.6
Rotatable Bonds
3
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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