Molecule

ID:122523

General Information
Structure
MolImage
Molecular Formula
C₈H₈O₃
Molecular Mass
152.14732
Exact Mass
152.04734412
Charge
0
InChI
InChI=1S/C8H8O3/c9-7-5-3-1-2-4-6(5)8(10)11-7/h1-4H2
InChIKey
HMMBJOWWRLZEMI-UHFFFAOYSA-N
Canonic Smiles
O=C1OC(=O)C2=C1CCCC2
Isomeric Smiles
O1C(=O)C2=C(C1=O)CCCC2
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.7764368
LogD (pH = 7.4)
1.7764368
Log P
1.7764368
Molar Refractivity
37.5156
Polarizability
14.658144
Polar Surface Area
43.37
Rotatable Bonds
0
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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