Molecule

ID:90235

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₉BrO₃
Molecular Mass
363.24566
Exact Mass
362.05175647
Charge
0
InChI
InChI=1S/C18H19BrO3/c1-18(2,3)22-17(20)14-9-10-15(19)16(11-14)21-12-13-7-5-4-6-8-13/h4-11H,12H2,1-3H3
InChIKey
YLDFIOUCSZWEGJ-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccc(c(c1)OCc1ccccc1)Br)OC(C)(C)C
Isomeric Smiles
O=C(c1cc(c(cc1)Br)OCc1ccccc1)OC(C)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
5.3662367
LogD (pH = 7.4)
5.3662367
Log P
5.3662367
Molar Refractivity
90.5875
Polarizability
35.105675
Polar Surface Area
35.53
Rotatable Bonds
6
Lipinski's Rule of Five
false
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
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References
Bioactivity
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