Molecule

ID:25728

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₄O₃
Molecular Mass
230.25916
Exact Mass
230.09429431
Charge
0
InChI
InChI=1S/C14H14O3/c1-14(2,13(15)16)17-12-8-7-10-5-3-4-6-11(10)9-12/h3-9H,1-2H3,(H,15,16)
InChIKey
RVAWSQIHNATWNO-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C(Oc1ccc2c(c1)cccc2)(C)C
Isomeric Smiles
C(C(=O)O)(Oc1cc2c(cc1)cccc2)(C)C
Calculated Properties
JChem
Acid pKa
4.0467544
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.8199162
LogD (pH = 7.4)
0.15292303
Log P
3.2845647
Molar Refractivity
64.2632
Polarizability
26.389658
Polar Surface Area
46.53
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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