Molecule

ID:44067

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₇BrN₄O₂
Molecular Mass
365.22508
Exact Mass
364.0534878
Charge
0
InChI
InChI=1S/C15H17BrN4O2/c1-11-14(15(21)19-6-8-22-9-7-19)17-18-20(11)10-12-2-4-13(16)5-3-12/h2-5H,6-10H2,1H3
InChIKey
LHZGOZMRRGVIDG-UHFFFAOYSA-N
Canonic Smiles
O=C(c1nnn(c1C)Cc1ccc(cc1)Br)N1CCOCC1
Isomeric Smiles
c1(nnn(c1C)Cc1ccc(Br)cc1)C(=O)N1CCOCC1
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.178359
LogD (pH = 7.4)
2.1783595
Log P
2.1783595
Molar Refractivity
98.2778
Polarizability
32.44597
Polar Surface Area
60.25
Rotatable Bonds
3
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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