Molecule

ID:79799

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₁Br₂NO
Molecular Mass
381.06194
Exact Mass
378.92073798
Charge
0
InChI
InChI=1S/C15H11Br2NO/c16-9-1-3-14-12(5-9)13-6-10(17)2-4-15(13)18(14)7-11-8-19-11/h1-6,11H,7-8H2
InChIKey
DGMRGIDWASSLGY-UHFFFAOYSA-N
Canonic Smiles
Brc1ccc2c(c1)c1cc(Br)ccc1n2CC1CO1
Isomeric Smiles
n1(c2c(cc(cc2)Br)c2cc(ccc12)Br)CC1OC1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.6933336
LogD (pH = 7.4)
4.6933336
Log P
4.6933336
Molar Refractivity
82.3592
Polarizability
33.866714
Polar Surface Area
17.46
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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