Molecule

ID:81835

General Information
Structure
MolImage
Molecular Formula
C₈H₆BrClO₃
Molecular Mass
265.48844
Exact Mass
263.91888373
Charge
0
InChI
InChI=1S/C8H6BrClO3/c9-6-1-3-7(4-2-6)13-8(11)12-5-10/h1-4H,5H2
InChIKey
PIVWEROEDCETAM-UHFFFAOYSA-N
Canonic Smiles
ClCOC(=O)Oc1ccc(cc1)Br
Isomeric Smiles
O(C(=O)Oc1ccc(cc1)Br)CCl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.5823076
LogD (pH = 7.4)
3.5823076
Log P
3.5823076
Molar Refractivity
51.0762
Polarizability
20.361254
Polar Surface Area
35.53
Rotatable Bonds
4
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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