Molecule

ID:82305

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₄BrClN₂O₃
Molecular Mass
373.62956
Exact Mass
371.987632
Charge
0
InChI
InChI=1S/C14H14BrClN2O3/c1-2-21-13(19)11-10(7-15)17-14(20)18-12(11)8-5-3-4-6-9(8)16/h3-6,12H,2,7H2,1H3,(H2,17,18,20)
InChIKey
JNUSJEKFDIAYTJ-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C1=C(CBr)NC(=O)NC1c1ccccc1Cl
Isomeric Smiles
N1C(=O)NC(c2c(cccc2)Cl)C(=C1CBr)C(=O)OCC
Calculated Properties
JChem
Acid pKa
11.602397
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.337524
LogD (pH = 7.4)
2.3375
Log P
2.3375242
Molar Refractivity
83.8169
Polarizability
31.94655
Polar Surface Area
67.43
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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