Molecule

ID:128332

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀O₄
Molecular Mass
194.184
Exact Mass
194.0579088
Charge
0
InChI
InChI=1S/C10H10O4/c1-14-10(13)5-3-7-2-4-8(11)9(12)6-7/h2-6,11-12H,1H3
InChIKey
OCNYGKNIVPVPPX-UHFFFAOYSA-N
Canonic Smiles
COC(=O)/C=C/c1ccc(c(c1)O)O
Isomeric Smiles
COC(=O)/C=C/c1cc(c(cc1)O)O
Calculated Properties
JChem
Acid pKa
9.208666
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
1.9080986
LogD (pH = 7.4)
1.9015322
Log P
1.908183
Molar Refractivity
51.7908
Polarizability
19.525229
Polar Surface Area
66.76
Rotatable Bonds
3
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
No Data Available
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Molecule Details
References
Bioactivity
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