Molecule

ID:30457

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₄O₄
Molecular Mass
246.25856
Exact Mass
246.08920893
Charge
0
InChI
InChI=1S/C14H14O4/c1-17-12-6-3-2-5-10(12)11(9-14(15)16)13-7-4-8-18-13/h2-8,11H,9H2,1H3,(H,15,16)
InChIKey
ICKURTHQHUGHMK-UHFFFAOYSA-N
Canonic Smiles
COc1ccccc1C(c1ccco1)CC(=O)O
Isomeric Smiles
C(c1occc1)(c1c(OC)cccc1)CC(=O)O
Calculated Properties
JChem
Acid pKa
4.3688498
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.1406115
LogD (pH = 7.4)
-0.6108109
Log P
2.3010075
Molar Refractivity
65.5413
Polarizability
25.353878
Polar Surface Area
59.67
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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