Molecule

ID:81443

General Information
Structure
MolImage
Molecular Formula
C₃H₉BrN₄
Molecular Mass
181.03436
Exact Mass
180.00105831
Charge
0
InChI
InChI=1S/C3H8N4.BrH/c4-7-3-5-1-2-6-3;/h1-2,4H2,(H2,5,6,7);1H
InChIKey
HIJRJVVSABWXKG-UHFFFAOYSA-N
Canonic Smiles
NNC1=NCCN1.Br
Isomeric Smiles
N1=C(NCC1)NN.Br
Calculated Properties
JChem
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
-3.5914032
LogD (pH = 7.4)
-3.537158
Log P
-1.1387209
Molar Refractivity
38.1231
Polarizability
9.9846
Polar Surface Area
62.44
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
References
Bioactivity
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