Molecule

ID:30004

General Information
Structure
Molecular Formula
C₁₀H₁₀O₄
Molecular Mass
194.184
Exact Mass
194.0579088
Charge
0
InChI
InChI=1S/C10H10O4/c1-12-10(11)9-6-13-7-4-2-3-5-8(7)14-9/h2-5,9H,6H2,1H3
InChIKey
SNLAAGHHNZECPE-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C1COc2c(O1)cccc2
Isomeric Smiles
C1(Oc2c(OC1)cccc2)C(=O)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.322212
LogD (pH = 7.4)
1.322212
Log P
1.322212
Molar Refractivity
47.6144
Polarizability
19.128435
Polar Surface Area
44.76
Rotatable Bonds
2
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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