Molecule

ID:75640

General Information
Structure
MolImage
Molecular Formula
C₇H₆BrNO
Molecular Mass
200.03264
Exact Mass
198.96327582
Charge
0
InChI
InChI=1S/C7H6BrNO/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H2,9,10)
InChIKey
ZRWNRAJCPNLYAK-UHFFFAOYSA-N
Canonic Smiles
NC(=O)c1ccc(cc1)Br
Isomeric Smiles
Brc1ccc(cc1)C(=O)N
Calculated Properties
JChem
Acid pKa
14.341428
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.5926381
LogD (pH = 7.4)
1.5926387
Log P
1.5926387
Molar Refractivity
42.7592
Polarizability
16.046242
Polar Surface Area
43.09
Rotatable Bonds
1
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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