Molecule

ID:61325

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₂O₅
Molecular Mass
296.27418
Exact Mass
296.06847348
Charge
0
InChI
InChI=1S/C17H12O5/c1-21-17(20)11-4-2-10(3-5-11)8-15-16(19)13-7-6-12(18)9-14(13)22-15/h2-9,18H,1H3/b15-8-
InChIKey
WKCCLTCDMHZBDV-NVNXTCNLSA-N
Canonic Smiles
COC(=O)c1ccc(cc1)/C=C/1\Oc2c(C1=O)ccc(c2)O
Isomeric Smiles
C\1(=C\c2ccc(C(=O)OC)cc2)/C(=O)c2c(O1)cc(cc2)O
Calculated Properties
JChem
Acid pKa
7.6524234
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
2.8991609
LogD (pH = 7.4)
2.711
Log P
2.902186
Molar Refractivity
81.0525
Polarizability
30.308666
Polar Surface Area
72.83
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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