Molecule

ID:65807

General Information
Structure
MolImage
Molecular Formula
C₉H₁₀BrNO
Molecular Mass
228.0858
Exact Mass
226.99457595
Charge
0
InChI
InChI=1S/C9H10BrNO/c1-11(2)9-4-3-7(6-12)5-8(9)10/h3-6H,1-2H3
InChIKey
VWOYSIGIEVHTRQ-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(c(c1)Br)N(C)C
Isomeric Smiles
c1c(cc(c(c1)N(C)C)Br)C=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.562539
LogD (pH = 7.4)
2.5625446
Log P
2.5625446
Molar Refractivity
54.6934
Polarizability
19.850187
Polar Surface Area
20.31
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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