Molecule

ID:97777

General Information
Structure
MolImage
Molecular Formula
C₇H₂BrClF₂O₂
Molecular Mass
271.4433864
Exact Mass
269.88947542
Charge
0
InChI
InChI=1S/C7H2BrClF2O2/c8-3-1-5-6(2-4(3)9)13-7(10,11)12-5/h1-2H
InChIKey
XTQZJIDYGRBKKT-UHFFFAOYSA-N
Canonic Smiles
Brc1cc2OC(Oc2cc1Cl)(F)F
Isomeric Smiles
O1c2cc(c(cc2OC1(F)F)Br)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.362021
LogD (pH = 7.4)
4.362021
Log P
4.362021
Molar Refractivity
42.3224
Polarizability
17.64868
Polar Surface Area
18.46
Rotatable Bonds
0
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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