Molecule

ID:34759

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁BrClNO
Molecular Mass
276.55744
Exact Mass
274.97125366
Charge
0
InChI
InChI=1S/C10H11BrClNO/c1-6-8(12)4-3-5-9(6)13-10(14)7(2)11/h3-5,7H,1-2H3,(H,13,14)
InChIKey
MCMVMGLCZNGQAH-UHFFFAOYSA-N
Canonic Smiles
Cc1c(NC(=O)C(Br)C)cccc1Cl
Isomeric Smiles
N(C(=O)C(Br)C)c1c(c(Cl)ccc1)C
Calculated Properties
JChem
Acid pKa
13.40979
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.6200256
LogD (pH = 7.4)
3.6200252
Log P
3.6200256
Molar Refractivity
62.9976
Polarizability
23.471937
Polar Surface Area
29.1
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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