Molecule

ID:32528

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂Br₂N₂O
Molecular Mass
336.02308
Exact Mass
333.93163701
Charge
0
InChI
InChI=1S/C10H12Br2N2O/c1-10(2,3)9(15)14-7-4-6(11)5-13-8(7)12/h4-5H,1-3H3,(H,14,15)
InChIKey
YAZQPRDSHZOORW-UHFFFAOYSA-N
Canonic Smiles
O=C(C(C)(C)C)Nc1cc(Br)cnc1Br
Isomeric Smiles
c1(cnc(c(c1)NC(=O)C(C)(C)C)Br)Br
Calculated Properties
JChem
Acid pKa
11.612479
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.535847
LogD (pH = 7.4)
3.5358222
Log P
3.5358474
Molar Refractivity
68.5543
Polarizability
25.750254
Polar Surface Area
41.99
Rotatable Bonds
2
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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