Molecule

ID:58402

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₂O₇
Molecular Mass
304.25158
Exact Mass
304.05830272
Charge
0
InChI
InChI=1S/C15H12O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,14-19,21H/t14-,15?/m0/s1
InChIKey
CXQWRCVTCMQVQX-MLCCFXAWSA-N
Canonic Smiles
Oc1cc2OC(c3ccc(c(c3)O)O)[C@H](C(=O)c2c(c1)O)O
Isomeric Smiles
c1(cc(O)c2c(c1)OC([C@H](C2=O)O)c1cc(c(cc1)O)O)O
Calculated Properties
JChem
Acid pKa
7.797971
H Acceptors
7
H Donor
5
LogD (pH = 5.5)
1.8142184
LogD (pH = 7.4)
1.6695796
Log P
1.8163843
Molar Refractivity
74.6089
Polarizability
28.610525
Polar Surface Area
127.45
Rotatable Bonds
1
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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