Molecule

ID:75618

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₄BrNO
Molecular Mass
304.18176
Exact Mass
303.02587607
Charge
0
InChI
InChI=1S/C15H14BrNO/c1-10-7-8-12(9-11(10)2)17-15(18)13-5-3-4-6-14(13)16/h3-9H,1-2H3,(H,17,18)
InChIKey
IDLSRDSIECGYON-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccccc1Br)Nc1ccc(c(c1)C)C
Isomeric Smiles
N(c1cc(c(cc1)C)C)C(=O)c1c(cccc1)Br
Calculated Properties
JChem
Acid pKa
12.196156
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
4.860726
LogD (pH = 7.4)
4.860719
Log P
4.860726
Molar Refractivity
79.2967
Polarizability
29.168043
Polar Surface Area
29.1
Rotatable Bonds
2
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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