Molecule
ID:79828
General Information
Molecular Formula
C₁₅H₁₄BrNO
Molecular Mass
304.18176
Exact Mass
303.02587607
Charge
0
InChI
InChI=1S/C15H14BrNO/c16-9-11(18)10-17-14-7-3-1-5-12(14)13-6-2-4-8-15(13)17/h1-8,11,18H,9-10H2
InChIKey
AOKYEDZKQRJLJI-UHFFFAOYSA-N
Canonic Smiles
BrCC(Cn1c2ccccc2c2c1cccc2)O
Isomeric Smiles
n1(c2c(cccc2)c2ccccc12)CC(O)CBr
Calculated Properties
JChem
Acid pKa
13.96581
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.5342119
LogD (pH = 7.4)
3.5342119
Log P
3.5342119
Molar Refractivity
76.6582
Polarizability
31.632118
Polar Surface Area
25.16
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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