Molecule

ID:17681

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄O₄
Molecular Mass
210.22646
Exact Mass
210.08920893
Charge
0
InChI
InChI=1S/C11H14O4/c1-15-9-4-2-8(3-5-9)10(12)6-7-11(13)14/h2-5,10,12H,6-7H2,1H3,(H,13,14)
InChIKey
SRVHFMOPFVVMSB-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)C(CCC(=O)O)O
Isomeric Smiles
c1(C(CCC(=O)O)O)ccc(cc1)OC
Calculated Properties
JChem
Acid pKa
3.9549994
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-0.44108203
LogD (pH = 7.4)
-2.0726604
Log P
1.1116492
Molar Refractivity
54.5463
Polarizability
21.368792
Polar Surface Area
66.76
Rotatable Bonds
5
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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