Molecule

ID:74330

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅BrO₂
Molecular Mass
259.1396
Exact Mass
258.02554172
Charge
0
InChI
InChI=1S/C11H15BrO2/c1-13-10-6-2-3-7-11(10)14-9-5-4-8-12/h2-3,6-7H,4-5,8-9H2,1H3
InChIKey
IBOIPLXRAWCRMO-UHFFFAOYSA-N
Canonic Smiles
BrCCCCOc1ccccc1OC
Isomeric Smiles
O(c1ccccc1OCCCCBr)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.0852108
LogD (pH = 7.4)
3.0852108
Log P
3.0852108
Molar Refractivity
60.8212
Polarizability
23.568338
Polar Surface Area
18.46
Rotatable Bonds
6
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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