Molecule

ID:85890

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀BrClO₂
Molecular Mass
277.5422
Exact Mass
275.95526924
Charge
0
InChI
InChI=1S/C10H10BrClO2/c11-7-10(13-5-6-14-10)8-1-3-9(12)4-2-8/h1-4H,5-7H2
InChIKey
XKXPROBTEJTMQK-UHFFFAOYSA-N
Canonic Smiles
BrCC1(OCCO1)c1ccc(cc1)Cl
Isomeric Smiles
O1C(c2ccc(cc2)Cl)(OCC1)CBr
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.644737
LogD (pH = 7.4)
3.644737
Log P
3.644737
Molar Refractivity
58.6764
Polarizability
23.038675
Polar Surface Area
18.46
Rotatable Bonds
2
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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