Molecule

ID:6015

General Information
Structure
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Molecular Formula
C₁₄H₁₂O₄
Molecular Mass
244.24268
Exact Mass
244.07355886
Charge
0
InChI
InChI=1S/C14H12O4/c15-11-5-10(6-12(16)8-11)2-1-9-3-4-13(17)14(18)7-9/h1-8,15-18H/b2-1+
InChIKey
CDRPUGZCRXZLFL-OWOJBTEDSA-N
Canonic Smiles
Oc1cc(/C=C/c2ccc(c(c2)O)O)cc(c1)O
Isomeric Smiles
c1(cc(cc(c1)/C=C/c1cc(c(cc1)O)O)O)O
Calculated Properties
JChem
LogD (pH = 7.4)
3.06
LogD (pH = 5.5)
3.10
Log P
3.10
Rotatable Bonds
2
H Donor
4
H Acceptors
4
Lipinski's Rule of Five
true
Acid pKa
8.41
Polar Surface Area
80.92
Polarizability
25.46
Molar Refractivity
69.44
LOG S
-2.72
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
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Bioactivity
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