Molecule

ID:88732

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇BrClN
Molecular Mass
256.52628
Exact Mass
254.94503891
Charge
0
InChI
InChI=1S/C10H7BrClN/c1-6-4-7(11)5-8-9(12)2-3-13-10(6)8/h2-5H,1H3
InChIKey
ANZWRYPWQLXDFC-UHFFFAOYSA-N
Canonic Smiles
Brc1cc(C)c2c(c1)c(Cl)ccn2
Isomeric Smiles
n1ccc(c2cc(cc(c12)C)Br)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.016657
LogD (pH = 7.4)
4.017113
Log P
4.017119
Molar Refractivity
57.4481
Polarizability
23.29727
Polar Surface Area
12.89
Rotatable Bonds
0
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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