Molecule

ID:121296

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₅BrN₂O₂
Molecular Mass
275.1423
Exact Mass
274.03168973
Charge
0
InChI
InChI=1S/C10H15BrN2O2/c1-6(2)5-7-8(11)9(10(14)15-4)13(3)12-7/h6H,5H2,1-4H3
InChIKey
XHDWWADDMIEMNM-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1n(C)nc(c1Br)CC(C)C
Isomeric Smiles
c1(n(nc(c1Br)CC(C)C)C)C(=O)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.6568213
LogD (pH = 7.4)
2.6568303
Log P
2.6568303
Molar Refractivity
72.855
Polarizability
23.547426
Polar Surface Area
44.12
Rotatable Bonds
4
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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