Molecule

ID:21725

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂O₄
Molecular Mass
196.19988
Exact Mass
196.07355886
Charge
0
InChI
InChI=1S/C10H12O4/c1-7(10(11)12)14-9-5-3-8(13-2)4-6-9/h3-7H,1-2H3,(H,11,12)
InChIKey
MIEKOFWWHVOKQX-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)OC(C(=O)O)C
Isomeric Smiles
C(=O)(C(Oc1ccc(cc1)OC)C)O
Calculated Properties
JChem
Acid pKa
3.4797971
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.30643812
LogD (pH = 7.4)
-1.6766702
Log P
1.7046509
Molar Refractivity
49.5629
Polarizability
19.596874
Polar Surface Area
55.76
Rotatable Bonds
4
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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