Molecule

ID:84747

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄BrClO
Molecular Mass
277.58526
Exact Mass
275.99165475
Charge
0
InChI
InChI=1S/C11H14BrClO/c12-8-2-1-3-9-14-11-6-4-10(13)5-7-11/h4-7H,1-3,8-9H2
InChIKey
XJLIDPAXSFPBFE-UHFFFAOYSA-N
Canonic Smiles
BrCCCCCOc1ccc(cc1)Cl
Isomeric Smiles
Clc1ccc(cc1)OCCCCCBr
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.2914953
LogD (pH = 7.4)
4.2914953
Log P
4.2914953
Molar Refractivity
63.7638
Polarizability
24.772217
Polar Surface Area
9.23
Rotatable Bonds
6
Lipinski's Rule of Five
true
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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