Molecule

ID:74675

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇Br₃N₂
Molecular Mass
394.88798
Exact Mass
391.81593423
Charge
0
InChI
InChI=1S/C10H7Br3N2/c11-8-9(12)15(10(13)14-8)6-7-4-2-1-3-5-7/h1-5H,6H2
InChIKey
DPVXZXBHQWNJDP-UHFFFAOYSA-N
Canonic Smiles
Brc1nc(c(n1Cc1ccccc1)Br)Br
Isomeric Smiles
n1(c(c(nc1Br)Br)Br)Cc1ccccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.3103437
LogD (pH = 7.4)
4.3103743
Log P
4.3103747
Molar Refractivity
72.0167
Polarizability
27.56381
Polar Surface Area
17.82
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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