Molecule

ID:79785

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₂Br₂S
Molecular Mass
372.11808
Exact Mass
369.90264538
Charge
0
InChI
InChI=1S/C14H12Br2S/c15-9-11-5-1-3-7-13(11)17-14-8-4-2-6-12(14)10-16/h1-8H,9-10H2
InChIKey
NZFVHTDPGHVCOL-UHFFFAOYSA-N
Canonic Smiles
BrCc1ccccc1Sc1ccccc1CBr
Isomeric Smiles
S(c1ccccc1CBr)c1c(cccc1)CBr
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
5.70747
LogD (pH = 7.4)
5.70747
Log P
5.70747
Molar Refractivity
84.4429
Polarizability
31.957352
Polar Surface Area
0.0
Rotatable Bonds
4
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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