Molecule

ID:97839

General Information
Structure
MolImage
Molecular Formula
C₇H₈BrClFN
Molecular Mass
240.5005232
Exact Mass
238.95126716
Charge
0
InChI
InChI=1S/C7H7BrFN.ClH/c1-4-2-7(10)5(8)3-6(4)9;/h2-3H,10H2,1H3;1H
InChIKey
UYCSOCCYOIVHPW-UHFFFAOYSA-N
Canonic Smiles
Fc1cc(Br)c(cc1C)N.Cl
Isomeric Smiles
Brc1c(cc(c(c1)F)C)N.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.5679653
LogD (pH = 7.4)
2.5691803
Log P
2.5691957
Molar Refractivity
43.6388
Polarizability
15.851201
Polar Surface Area
26.02
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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