Molecule

ID:94871

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₇FO₂
Molecular Mass
200.2498832
Exact Mass
200.121258
Charge
0
InChI
InChI=1S/C11H17FO2/c1-2-3-9-14-10(13)11(12)7-5-4-6-8-11/h4-5H,2-3,6-9H2,1H3
InChIKey
ILGWWQOHRCOPJP-UHFFFAOYSA-N
Canonic Smiles
CCCCOC(=O)C1(F)CCC=CC1
Isomeric Smiles
O(C(=O)C1(F)CC=CCC1)CCCC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.9857872
LogD (pH = 7.4)
2.9857872
Log P
2.9857872
Molar Refractivity
53.4671
Polarizability
20.501034
Polar Surface Area
26.3
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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