Molecule

ID:99604

General Information
Structure
MolImage
Molecular Formula
C₇H₈BrClFN
Molecular Mass
240.5005232
Exact Mass
238.95126716
Charge
0
InChI
InChI=1S/C7H7BrFN.ClH/c8-7-2-1-6(9)3-5(7)4-10;/h1-3H,4,10H2;1H
InChIKey
FCNDYXZLZMHWKI-UHFFFAOYSA-N
Canonic Smiles
NCc1cc(F)ccc1Br.Cl
Isomeric Smiles
NCc1c(ccc(c1)F)Br.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.919487
LogD (pH = 7.4)
0.31760377
Log P
2.0104687
Molar Refractivity
42.3706
Polarizability
16.250097
Polar Surface Area
26.02
Rotatable Bonds
1
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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