Molecule
ID:68566
General Information
Molecular Formula
C₂₆H₁₉BrN₄
Molecular Mass
467.35986
Exact Mass
466.07930863
Charge
0
InChI
InChI=1S/C26H19BrN4/c27-24-19-11-10-18-23(24)25-28-29-30-31(25)26(20-12-4-1-5-13-20,21-14-6-2-7-15-21)22-16-8-3-9-17-22/h1-19H
InChIKey
KHMJZQFKDOBODS-UHFFFAOYSA-N
Canonic Smiles
Brc1ccccc1c1nnnn1C(c1ccccc1)(c1ccccc1)c1ccccc1
Isomeric Smiles
n1(nnnc1c1c(cccc1)Br)C(c1ccccc1)(c1ccccc1)c1ccccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
7.3031898
LogD (pH = 7.4)
7.3031898
Log P
7.3031898
Molar Refractivity
151.3092
Polarizability
48.837967
Polar Surface Area
43.6
Rotatable Bonds
5
Lipinski's Rule of Five
false
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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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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