Molecule

ID:65560

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₁BrN₂O₂
Molecular Mass
283.12124
Exact Mass
282.0003896
Charge
0
InChI
InChI=1S/C11H11BrN2O2/c1-11(2,3)10-14-7-8(16-10)6(5-15)4-13-9(7)12/h4-5H,1-3H3
InChIKey
TYSYQBDXMCLVLO-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cnc(c2c1oc(n2)C(C)(C)C)Br
Isomeric Smiles
c1(cnc(c2c1oc(n2)C(C)(C)C)Br)C=O
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.7115712
LogD (pH = 7.4)
2.7115712
Log P
2.7115712
Molar Refractivity
63.7583
Polarizability
25.012037
Polar Surface Area
55.99
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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