Molecule

ID:1976

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-LSDHHAIUSA-N
Canonic Smiles
Oc1cc2O[C@H](c3ccc(c(c3)O)O)[C@H](C(=O)c2c(c1)O)O
Isomeric Smiles
O[C@@H]1[C@H](Oc2cc(O)cc(O)c2C1=O)c1ccc(O)c(O)c1
Calculated Properties
JChem
Polar Surface Area
127.45
Rotatable Bonds
1
Lipinski's Rule of Five
true
Acid pKa
7.742827
H Acceptors
7
H Donor
5
LogD (pH = 5.5)
1.813926
LogD (pH = 7.4)
1.6518341
Log P
1.8163843
Molar Refractivity
74.6089
Polarizability
28.610525
ALOGPS 2.1
Solubility (Water)
1.16e+00 g/l
Log P
1.07
LOG S
-2.42
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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