Molecule

ID:127680

General Information
Structure
MolImage
Molecular Formula
C₉O₉
Molecular Mass
252.0909
Exact Mass
251.95423158
Charge
0
InChI
InChI=1S/C9O9/c10-7-13-1-2(14-7)4-6(18-9(12)17-4)5-3(1)15-8(11)16-5
InChIKey
ZBAXYMCJUNMJHE-UHFFFAOYSA-N
Canonic Smiles
O=c1oc2c(o1)c1oc(=O)oc1c1c2oc(=O)o1
Isomeric Smiles
O=c1oc2c3oc(=O)oc3c3oc(=O)oc3c2o1
Calculated Properties
JChem
H Acceptors
6
H Donor
0
LogD (pH = 5.5)
1.15704
LogD (pH = 7.4)
1.15704
Log P
1.15704
Molar Refractivity
45.4848
Polarizability
18.540102
Polar Surface Area
106.59
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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