Molecule

ID:10028

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀BrN
Molecular Mass
200.0757
Exact Mass
198.99966133
Charge
0
InChI
InChI=1S/C8H10BrN/c1-10(2)8-6-4-3-5-7(8)9/h3-6H,1-2H3
InChIKey
ONMSBNJJCUCYED-UHFFFAOYSA-N
Canonic Smiles
CN(c1ccccc1Br)C
Isomeric Smiles
c1ccc(c(c1)N(C)C)Br
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.849924
LogD (pH = 7.4)
2.850041
Log P
2.8500423
Molar Refractivity
48.1094
Polarizability
17.898306
Polar Surface Area
3.24
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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