Molecule

ID:82296

General Information
Structure
MolImage
Molecular Formula
C₇H₇Br₂N₃O
Molecular Mass
308.95798
Exact Mass
306.89558586
Charge
0
InChI
InChI=1S/C7H7Br2N3O/c8-4-1-3(7(13)12-11)2-5(9)6(4)10/h1-2H,10-11H2,(H,12,13)
InChIKey
YFFKNKXNFFNNKV-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)c1cc(Br)c(c(c1)Br)N
Isomeric Smiles
O=C(c1cc(c(c(c1)Br)N)Br)NN
Calculated Properties
JChem
Acid pKa
14.553888
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
1.2349877
LogD (pH = 7.4)
1.235977
Log P
1.2359897
Molar Refractivity
59.5665
Polarizability
21.770935
Polar Surface Area
81.14
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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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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