Molecule

ID:68239

General Information
Structure
MolImage
Molecular Formula
C₃₄H₂₁Br
Molecular Mass
509.43454
Exact Mass
508.08266267
Charge
0
InChI
InChI=1S/C34H21Br/c35-28-17-18-31-32(21-28)34(27-16-14-23-8-2-4-10-25(23)20-27)30-12-6-5-11-29(30)33(31)26-15-13-22-7-1-3-9-24(22)19-26/h1-21H
InChIKey
NNVPXSAMRFIMLP-UHFFFAOYSA-N
Canonic Smiles
Brc1ccc2c(c1)c(c1ccc3c(c1)cccc3)c1c(c2c2ccc3c(c2)cccc3)cccc1
Isomeric Smiles
c1c(ccc2c(c3ccccc3c(c12)c1cc2c(cc1)cccc2)c1cc2c(cc1)cccc2)Br
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
9.994356
LogD (pH = 7.4)
9.994356
Log P
9.994356
Molar Refractivity
149.754
Polarizability
65.44025
Polar Surface Area
0.0
Rotatable Bonds
2
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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