Molecule

ID:37727

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂BrNO
Molecular Mass
242.11238
Exact Mass
241.01022601
Charge
0
InChI
InChI=1S/C10H12BrNO/c1-12(2)10(13)7-8-3-5-9(11)6-4-8/h3-6H,7H2,1-2H3
InChIKey
CNGVHZAORFMGBW-UHFFFAOYSA-N
Canonic Smiles
CN(C(=O)Cc1ccc(cc1)Br)C
Isomeric Smiles
C(=O)(N(C)C)Cc1ccc(Br)cc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.0201561
LogD (pH = 7.4)
2.0201561
Log P
2.0201561
Molar Refractivity
56.604
Polarizability
21.676483
Polar Surface Area
20.31
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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