Molecule

ID:59006

General Information
Structure
MolImage
Molecular Formula
C₁₁H₉ClFNO
Molecular Mass
225.6466632
Exact Mass
225.03566981
Charge
0
InChI
InChI=1S/C11H9ClFNO/c1-6-11(10(15)5-12)8-4-7(13)2-3-9(8)14-6/h2-4,14H,5H2,1H3
InChIKey
PEVAKAZWPQUQQX-UHFFFAOYSA-N
Canonic Smiles
Cc1c(C(=O)CCl)c2c([nH]1)ccc(c2)F
Isomeric Smiles
c1(ccc2[nH]c(c(c2c1)C(=O)CCl)C)F
Calculated Properties
JChem
Acid pKa
13.459396
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.5092623
LogD (pH = 7.4)
2.509262
Log P
2.5092623
Molar Refractivity
57.6666
Polarizability
22.521618
Polar Surface Area
32.86
Rotatable Bonds
2
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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