Molecule

ID:31799

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅BrO
Molecular Mass
243.1402
Exact Mass
242.0306271
Charge
0
InChI
InChI=1S/C11H15BrO/c1-9(2)10-5-3-4-6-11(10)13-8-7-12/h3-6,9H,7-8H2,1-2H3
InChIKey
DAGDLSRRQJATCV-UHFFFAOYSA-N
Canonic Smiles
BrCCOc1ccccc1C(C)C
Isomeric Smiles
c1(c(OCCBr)cccc1)C(C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.9105687
LogD (pH = 7.4)
3.9105687
Log P
3.9105687
Molar Refractivity
59.0388
Polarizability
22.763403
Polar Surface Area
9.23
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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