Molecule

ID:108273

General Information
Structure
MolImage
Molecular Formula
C₉H₁₂O₃
Molecular Mass
168.18978
Exact Mass
168.07864424
Charge
0
InChI
InChI=1S/C9H12O3/c10-7-5-9(3-1-2-4-9)6-8(11)12-7/h1-6H2
InChIKey
GFWLMILMVMCJDI-UHFFFAOYSA-N
Canonic Smiles
O=C1OC(=O)CC2(C1)CCCC2
Isomeric Smiles
O=C1CC2(CCCC2)CC(=O)O1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.1927353
LogD (pH = 7.4)
1.1927353
Log P
1.1927353
Molar Refractivity
41.3561
Polarizability
16.734009
Polar Surface Area
43.37
Rotatable Bonds
0
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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