Molecule

ID:88720

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂O₄
Molecular Mass
196.19988
Exact Mass
196.07355886
Charge
0
InChI
InChI=1S/C10H12O4/c1-12-7-5-4-6-8(13-2)9(7)10(11)14-3/h4-6H,1-3H3
InChIKey
XLXVNKPXOIYLLE-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1c(OC)cccc1OC
Isomeric Smiles
O(c1c(c(ccc1)OC)C(=O)OC)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.6613803
LogD (pH = 7.4)
1.6613803
Log P
1.6613803
Molar Refractivity
51.0097
Polarizability
19.81822
Polar Surface Area
44.76
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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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