Molecule

ID:17914

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄O₄
Molecular Mass
210.22646
Exact Mass
210.08920893
Charge
0
InChI
InChI=1S/C11H14O4/c1-13-5-6-15-10-4-3-9(8-12)7-11(10)14-2/h3-4,7-8H,5-6H2,1-2H3
InChIKey
NOPUZJCDDPDODF-UHFFFAOYSA-N
Canonic Smiles
COCCOc1ccc(cc1OC)C=O
Isomeric Smiles
c1(c(cc(cc1)C=O)OC)OCCOC
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.3234301
LogD (pH = 7.4)
1.3234302
Log P
1.3234302
Molar Refractivity
56.6119
Polarizability
21.655762
Polar Surface Area
44.76
Rotatable Bonds
6
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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