Molecule

ID:53406

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀BrNO₂
Molecular Mass
256.0959
Exact Mass
254.98949057
Charge
0
InChI
InChI=1S/C10H10BrNO2/c11-6-9-7-12(10(13)14-9)8-4-2-1-3-5-8/h1-5,9H,6-7H2
InChIKey
HCZAPBYNLIYPIY-UHFFFAOYSA-N
Canonic Smiles
BrCC1CN(C(=O)O1)c1ccccc1
Isomeric Smiles
C1(=O)N(CC(O1)CBr)c1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.4325407
LogD (pH = 7.4)
2.4325407
Log P
2.4325407
Molar Refractivity
55.6885
Polarizability
21.63752
Polar Surface Area
29.54
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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