Molecule

ID:65562

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀BrIN₂O
Molecular Mass
381.00767
Exact Mass
379.90212295
Charge
0
InChI
InChI=1S/C10H10BrIN2O/c1-10(2,3)9-14-7-5(15-9)4-6(12)13-8(7)11/h4H,1-3H3
InChIKey
LYQNSJIZUKTZCW-UHFFFAOYSA-N
Canonic Smiles
Ic1nc(Br)c2c(c1)oc(n2)C(C)(C)C
Isomeric Smiles
c1c(nc(c2c1oc(n2)C(C)(C)C)Br)I
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.9606009
LogD (pH = 7.4)
3.9606009
Log P
3.9606009
Molar Refractivity
70.2449
Polarizability
28.499325
Polar Surface Area
38.92
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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