Molecule

ID:98167

General Information
Structure
MolImage
Molecular Formula
C₈H₆ClF₃O
Molecular Mass
210.5808496
Exact Mass
210.00592715
Charge
0
InChI
InChI=1S/C8H6ClF3O/c1-13-7-3-2-5(4-6(7)9)8(10,11)12/h2-4H,1H3
InChIKey
VVRXOIBFPBBYRU-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1Cl)C(F)(F)F
Isomeric Smiles
O(c1c(cc(cc1)C(F)(F)F)Cl)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.2974677
LogD (pH = 7.4)
3.2974677
Log P
3.2974677
Molar Refractivity
43.2997
Polarizability
16.062002
Polar Surface Area
9.23
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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