Molecule
ID:74903
General Information
Molecular Formula
C₉H₁₀Br₂
Molecular Mass
277.9837
Exact Mass
275.91492432
Charge
0
InChI
InChI=1S/C9H10Br2/c1-6(2)7-3-8(10)5-9(11)4-7/h3-6H,1-2H3
InChIKey
NZSDHAXDRSHURO-UHFFFAOYSA-N
Canonic Smiles
CC(c1cc(Br)cc(c1)Br)C
Isomeric Smiles
Brc1cc(cc(c1)C(C)C)Br
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.75576
LogD (pH = 7.4)
4.75576
Log P
4.75576
Molar Refractivity
55.4944
Polarizability
21.459566
Polar Surface Area
0.0
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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