Molecule

ID:61338

General Information
Structure
Molecular Formula
C₁₇H₁₄O₅
Molecular Mass
298.29006
Exact Mass
298.08412355
Charge
0
InChI
InChI=1S/C17H14O5/c1-20-13-5-3-4-10(17(13)21-2)8-15-16(19)12-7-6-11(18)9-14(12)22-15/h3-9,18H,1-2H3/b15-8-
InChIKey
GQSYGPPHMQKVOE-NVNXTCNLSA-N
Canonic Smiles
COc1c(cccc1OC)/C=C/1\Oc2c(C1=O)ccc(c2)O
Isomeric Smiles
C\1(=C\c2c(c(OC)ccc2)OC)/C(=O)c2c(O1)cc(cc2)O
Calculated Properties
JChem
Acid pKa
7.651974
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
2.5803382
LogD (pH = 7.4)
2.3920212
Log P
2.5833664
Molar Refractivity
81.9536
Polarizability
30.923477
Polar Surface Area
64.99
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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