Molecule

ID:90459

General Information
Structure
MolImage
Molecular Formula
C₇H₁₄O₂
Molecular Mass
130.18486
Exact Mass
130.09937969
Charge
0
InChI
InChI=1S/C7H14O2/c1-2-3-4-8-5-7-6-9-7/h7H,2-6H2,1H3/t7-/m0/s1
InChIKey
YSUQLAYJZDEMOT-ZETCQYMHSA-N
Canonic Smiles
CCCCOC[C@H]1CO1
Isomeric Smiles
O1[C@H](C1)COCCCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.289715
LogD (pH = 7.4)
1.289715
Log P
1.289715
Molar Refractivity
35.6308
Polarizability
14.282731
Polar Surface Area
21.76
Rotatable Bonds
5
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
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References
Bioactivity
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