Molecule
ID:16009
General Information
Molecular Formula
C₁₀H₁₄O₄
Molecular Mass
198.21576
Exact Mass
198.08920893
Charge
0
InChI
InChI=1S/C10H14O4/c1-11-7-5-6-8(12-2)10(14-4)9(7)13-3/h5-6H,1-4H3
InChIKey
QCNHIJXDZKTWSA-UHFFFAOYSA-N
Canonic Smiles
COc1c(OC)ccc(c1OC)OC
Isomeric Smiles
c1c(c(c(c(c1)OC)OC)OC)OC
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.3425608
LogD (pH = 7.4)
1.3425608
Log P
1.3425608
Molar Refractivity
51.9108
Polarizability
20.426447
Polar Surface Area
36.92
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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