Molecule

ID:91986

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₃Br
Molecular Mass
213.11422
Exact Mass
212.02006242
Charge
0
InChI
InChI=1S/C10H13Br/c11-9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2
InChIKey
XPBQQAHIVODAIC-UHFFFAOYSA-N
Canonic Smiles
BrCCCCc1ccccc1
Isomeric Smiles
BrCCCCc1ccccc1
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.9237816
LogD (pH = 7.4)
3.9237816
Log P
3.9237816
Molar Refractivity
52.8654
Polarizability
20.212265
Polar Surface Area
0.0
Rotatable Bonds
4
Lipinski's Rule of Five
true
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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