Molecule

ID:20633

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₆BrNO
Molecular Mass
354.24044
Exact Mass
353.04152614
Charge
0
InChI
InChI=1S/C19H16BrNO/c20-16-8-11-19(18(21)13-16)22-17-9-6-15(7-10-17)12-14-4-2-1-3-5-14/h1-11,13H,12,21H2
InChIKey
WFCVUDYUKFJBCX-UHFFFAOYSA-N
Canonic Smiles
Brc1ccc(c(c1)N)Oc1ccc(cc1)Cc1ccccc1
Isomeric Smiles
c1(c(cc(cc1)Br)N)Oc1ccc(Cc2ccccc2)cc1
Calculated Properties
JChem
Acid pKa
19.979717
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
5.50482
LogD (pH = 7.4)
5.5051494
Log P
5.5051537
Molar Refractivity
94.3592
Polarizability
35.810665
Polar Surface Area
35.25
Rotatable Bonds
4
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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