Molecule

ID:91521

General Information
Structure
MolImage
Molecular Formula
C₁₀H₆BrNO₂
Molecular Mass
252.06414
Exact Mass
250.95819044
Charge
0
InChI
InChI=1S/C10H6BrNO2/c11-7-2-1-3-8(6-7)12-9(13)4-5-10(12)14/h1-6H
InChIKey
KJJYDECLTBAKCK-UHFFFAOYSA-N
Canonic Smiles
Brc1cccc(c1)N1C(=O)C=CC1=O
Isomeric Smiles
N1(c2cc(ccc2)Br)C(=O)C=CC1=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.0144835
LogD (pH = 7.4)
2.0144842
Log P
2.0144842
Molar Refractivity
55.6485
Polarizability
20.87344
Polar Surface Area
37.38
Rotatable Bonds
1
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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