Molecule

ID:67912

General Information
Structure
MolImage
Molecular Formula
C₄H₂BrN₃S
Molecular Mass
204.04778
Exact Mass
202.91528008
Charge
0
InChI
InChI=1S/C4H2BrN3S/c5-3-7-8-2-1-6-4(8)9-3/h1-2H
InChIKey
JFHCFWOCRFEOAG-UHFFFAOYSA-N
Canonic Smiles
Brc1nn2c(s1)ncc2
Isomeric Smiles
s1c2n(nc1Br)ccn2
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.086465
LogD (pH = 7.4)
2.0880795
Log P
2.0881
Molar Refractivity
59.2339
Polarizability
14.353855
Polar Surface Area
30.19
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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