Molecule

ID:25332

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₆BrNO₂
Molecular Mass
370.23984
Exact Mass
369.03644076
Charge
0
InChI
InChI=1S/C19H16BrNO2/c1-11(2)12-3-5-13(6-4-12)18-10-16(19(22)23)15-9-14(20)7-8-17(15)21-18/h3-11H,1-2H3,(H,22,23)
InChIKey
FAFVYBXTAZBAII-UHFFFAOYSA-N
Canonic Smiles
Brc1ccc2c(c1)c(cc(n2)c1ccc(cc1)C(C)C)C(=O)O
Isomeric Smiles
c1(c2c(nc(c1)c1ccc(cc1)C(C)C)ccc(c2)Br)C(=O)O
Calculated Properties
JChem
Acid pKa
3.557512
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.8975213
LogD (pH = 7.4)
2.4774258
Log P
5.835321
Molar Refractivity
93.8133
Polarizability
38.30996
Polar Surface Area
50.19
Rotatable Bonds
3
Lipinski's Rule of Five
false
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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