Molecule

ID:70046

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀BrN
Molecular Mass
200.0757
Exact Mass
198.99966133
Charge
0
InChI
InChI=1S/C8H10BrN/c1-10(2)8-5-3-7(9)4-6-8/h3-6H,1-2H3
InChIKey
XYZWMVYYUIMRIZ-UHFFFAOYSA-N
Canonic Smiles
CN(c1ccc(cc1)Br)C
Isomeric Smiles
N(c1ccc(cc1)Br)(C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.8064249
LogD (pH = 7.4)
2.849465
Log P
2.8500423
Molar Refractivity
48.1094
Polarizability
17.89348
Polar Surface Area
3.24
Rotatable Bonds
1
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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