Molecule

ID:67288

General Information
Structure
MolImage
Molecular Formula
C₂₅H₁₂Br₄
Molecular Mass
631.97878
Exact Mass
627.76724838
Charge
0
InChI
InChI=1S/C25H12Br4/c26-13-1-5-17-18-6-2-14(27)10-22(18)25(21(17)9-13)23-11-15(28)3-7-19(23)20-8-4-16(29)12-24(20)25/h1-12H
InChIKey
MASXXNUEJVMYML-UHFFFAOYSA-N
Canonic Smiles
Brc1ccc2c(c1)C1(c3c2ccc(c3)Br)c2cc(Br)ccc2c2c1cc(Br)cc2
Isomeric Smiles
C12(c3cc(ccc3c3ccc(cc13)Br)Br)c1cc(ccc1c1ccc(cc21)Br)Br
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
9.342684
LogD (pH = 7.4)
9.342684
Log P
9.342684
Molar Refractivity
133.6565
Polarizability
53.052265
Polar Surface Area
0.0
Rotatable Bonds
0
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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