Molecule

ID:56716

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀BrClO₂
Molecular Mass
277.5422
Exact Mass
275.95526924
Charge
0
InChI
InChI=1S/C10H10BrClO2/c1-2-9(10(12)13)14-8-5-3-7(11)4-6-8/h3-6,9H,2H2,1H3
InChIKey
SMNPEWBYDYGUBD-UHFFFAOYSA-N
Canonic Smiles
CCC(C(=O)Cl)Oc1ccc(cc1)Br
Isomeric Smiles
C(=O)(C(Oc1ccc(Br)cc1)CC)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.6869268
LogD (pH = 7.4)
3.6869268
Log P
3.6869268
Molar Refractivity
59.105
Polarizability
23.214914
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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