Molecule

ID:83467

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₈O₄
Molecular Mass
250.29032
Exact Mass
250.12050906
Charge
0
InChI
InChI=1S/C14H18O4/c1-3-17-13(15)9-8-11-6-5-7-12(10-11)14(16)18-4-2/h5-7,10H,3-4,8-9H2,1-2H3
InChIKey
HDGSRVUQMHJTDH-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)CCc1cccc(c1)C(=O)OCC
Isomeric Smiles
O=C(c1cc(ccc1)CCC(=O)OCC)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.9185498
LogD (pH = 7.4)
2.9185498
Log P
2.9185498
Molar Refractivity
68.2582
Polarizability
26.56843
Polar Surface Area
52.6
Rotatable Bonds
8
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
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References
Bioactivity
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