Molecule

ID:40071

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁FO₂
Molecular Mass
182.1915432
Exact Mass
182.07430781
Charge
0
InChI
InChI=1S/C10H11FO2/c11-6-1-7-13-10-4-2-9(8-12)3-5-10/h2-5,8H,1,6-7H2
InChIKey
BTUBWANWQSVITR-UHFFFAOYSA-N
Canonic Smiles
FCCCOc1ccc(cc1)C=O
Isomeric Smiles
O=Cc1ccc(cc1)OCCCF
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.7890264
LogD (pH = 7.4)
1.7890264
Log P
1.7890264
Molar Refractivity
48.5708
Polarizability
18.135519
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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