Molecule

ID:94563

General Information
Structure
MolImage
Molecular Formula
C₇H₄BrF₂NO₂
Molecular Mass
252.0129664
Exact Mass
250.93934681
Charge
0
InChI
InChI=1S/C7H4BrF2NO2/c8-3-1-5-6(2-4(3)11)13-7(9,10)12-5/h1-2H,11H2
InChIKey
ZKILVLUCVYGVMI-UHFFFAOYSA-N
Canonic Smiles
Brc1cc2OC(Oc2cc1N)(F)F
Isomeric Smiles
O1c2cc(c(cc2OC1(F)F)N)Br
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.928482
LogD (pH = 7.4)
2.9290433
Log P
2.9290504
Molar Refractivity
42.218
Polarizability
16.799963
Polar Surface Area
44.48
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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