Molecule

ID:64593

General Information
Structure
MolImage
Molecular Formula
C₅H₈BrClN₄
Molecular Mass
239.50082
Exact Mass
237.96208596
Charge
0
InChI
InChI=1S/C5H7BrN4.ClH/c6-5-9-8-4-3-7-1-2-10(4)5;/h7H,1-3H2;1H
InChIKey
FUJPMJNDLCTNEF-UHFFFAOYSA-N
Canonic Smiles
Brc1nnc2n1CCNC2.Cl
Isomeric Smiles
n12c(nnc1CNCC2)Br.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.5282009
LogD (pH = 7.4)
-0.42801628
Log P
-0.35794234
Molar Refractivity
42.3565
Polarizability
15.613374
Polar Surface Area
42.74
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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