Molecule

ID:75628

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₂Br₂
Molecular Mass
376.08518
Exact Mass
373.93057438
Charge
0
InChI
InChI=1S/C17H12Br2/c1-2-10-9-17(10)15-7-11(18)3-5-13(15)14-6-4-12(19)8-16(14)17/h2-8,10H,1,9H2
InChIKey
LZJYNJKWXMMBDE-UHFFFAOYSA-N
Canonic Smiles
C=CC1CC21c1cc(Br)ccc1c1c2cc(Br)cc1
Isomeric Smiles
Brc1cc2c(cc1)c1c(cc(cc1)Br)C12C(C1)C=C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
5.8274646
LogD (pH = 7.4)
5.8274646
Log P
5.8274646
Molar Refractivity
97.0286
Polarizability
34.09033
Polar Surface Area
0.0
Rotatable Bonds
1
Lipinski's Rule of Five
false
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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