Molecule

ID:97182

General Information
Structure
Molecular Formula
C₁₃H₉ClF₂O
Molecular Mass
254.6597664
Exact Mass
254.03099903
Charge
0
InChI
InChI=1S/C13H9ClF2O/c14-13(15,16)17-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H
InChIKey
DAQHSAGYYKBGAM-UHFFFAOYSA-N
Canonic Smiles
FC(Oc1ccc(cc1)c1ccccc1)(Cl)F
Isomeric Smiles
O(c1ccc(cc1)c1ccccc1)C(F)(F)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
5.339172
LogD (pH = 7.4)
5.339172
Log P
5.339172
Molar Refractivity
54.2645
Polarizability
25.031883
Polar Surface Area
9.23
Rotatable Bonds
3
Lipinski's Rule of Five
false
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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