Molecule

ID:67111

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉FO
Molecular Mass
164.1762632
Exact Mass
164.06374313
Charge
0
InChI
InChI=1S/C10H9FO/c11-8-5-4-7-2-1-3-10(12)9(7)6-8/h4-6H,1-3H2
InChIKey
UCBYBFAJSWCTLG-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc2c(c1)C(=O)CCC2
Isomeric Smiles
C1(=O)CCCc2ccc(cc12)F
Calculated Properties
JChem
Acid pKa
16.457582
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.4238267
LogD (pH = 7.4)
2.4238267
Log P
2.4238267
Molar Refractivity
44.5431
Polarizability
16.678608
Polar Surface Area
17.07
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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