Molecule

ID:78352

General Information
Structure
MolImage
Molecular Formula
C₅H₈BrClO
Molecular Mass
199.47342
Exact Mass
197.94470456
Charge
0
InChI
InChI=1S/C5H8BrClO/c6-4-2-1-3-5(7)8/h1-4H2
InChIKey
OKRUMSWHDWKGHA-UHFFFAOYSA-N
Canonic Smiles
BrCCCCC(=O)Cl
Isomeric Smiles
O=C(Cl)CCCCBr
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.0030656
LogD (pH = 7.4)
2.0030656
Log P
2.0030656
Molar Refractivity
38.2943
Polarizability
14.830806
Polar Surface Area
17.07
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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