Molecule

ID:64596

General Information
Structure
MolImage
Molecular Formula
C₆H₈BrClN₂S
Molecular Mass
255.56312
Exact Mass
253.92800895
Charge
0
InChI
InChI=1S/C6H7BrN2S.ClH/c7-6-9-4-1-2-8-3-5(4)10-6;/h8H,1-3H2;1H
InChIKey
PBOWGJGHBQXXET-UHFFFAOYSA-N
Canonic Smiles
Brc1nc2c(s1)CNCC2.Cl
Isomeric Smiles
n1c(sc2c1CCNC2)Br.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.99313605
LogD (pH = 7.4)
0.7405523
Log P
1.4566059
Molar Refractivity
44.6551
Polarizability
17.390125
Polar Surface Area
24.92
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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