Molecule

ID:43084

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₄O₄
Molecular Mass
270.27996
Exact Mass
270.08920893
Charge
0
InChI
InChI=1S/C16H14O4/c17-16(18)12-4-2-11(3-5-12)13-6-7-14-15(10-13)20-9-1-8-19-14/h2-7,10H,1,8-9H2,(H,17,18)
InChIKey
GJYLMDBVMSOLSL-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1ccc(cc1)c1ccc2c(c1)OCCCO2
Isomeric Smiles
C(=O)(c1ccc(c2cc3c(OCCCO3)cc2)cc1)O
Calculated Properties
JChem
Acid pKa
4.071236
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.4099255
LogD (pH = 7.4)
-0.26565078
Log P
2.8511465
Molar Refractivity
74.2732
Polarizability
29.74148
Polar Surface Area
55.76
Rotatable Bonds
2
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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