Molecule

ID:127681

General Information
Structure
MolImage
Molecular Formula
C₁₂O₁₂
Molecular Mass
336.1212
Exact Mass
335.93897544
Charge
0
InChI
InChI=1S/C12O12/c13-7-8(14)20-2-1(19-7)3-5(22-10(16)9(15)21-3)6-4(2)23-11(17)12(18)24-6
InChIKey
AWPPVEBYMHPZAL-UHFFFAOYSA-N
Canonic Smiles
O=c1oc2c(oc1=O)c1oc(=O)c(=O)oc1c1c2oc(=O)c(=O)o1
Isomeric Smiles
O=c1oc2c3oc(=O)c(=O)oc3c3oc(=O)c(=O)oc3c2oc1=O
Calculated Properties
JChem
H Acceptors
6
H Donor
0
LogD (pH = 5.5)
-0.9343688
LogD (pH = 7.4)
-0.9343688
Log P
-0.9343688
Molar Refractivity
60.306
Polarizability
24.535677
Polar Surface Area
157.8
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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