Molecule

ID:56847

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀BrClO₂
Molecular Mass
277.5422
Exact Mass
275.95526924
Charge
0
InChI
InChI=1S/C10H10BrClO2/c1-2-5-14-9-4-3-7(11)6-8(9)10(12)13/h3-4,6H,2,5H2,1H3
InChIKey
FGCMHJFRMWGUMK-UHFFFAOYSA-N
Canonic Smiles
CCCOc1ccc(cc1C(=O)Cl)Br
Isomeric Smiles
c1(cc(c(cc1)OCCC)C(=O)Cl)Br
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.65457
LogD (pH = 7.4)
3.65457
Log P
3.65457
Molar Refractivity
60.5313
Polarizability
23.190617
Polar Surface Area
26.3
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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