Molecule

ID:47919

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₇BrN₂
Molecular Mass
305.21288
Exact Mass
304.05751055
Charge
0
InChI
InChI=1S/C15H17BrN2/c1-2-18(11-12-6-4-3-5-7-12)15-9-8-13(16)10-14(15)17/h3-10H,2,11,17H2,1H3
InChIKey
GHOWWJYCGVYPLY-UHFFFAOYSA-N
Canonic Smiles
CCN(c1ccc(cc1N)Br)Cc1ccccc1
Isomeric Smiles
c1(N(Cc2ccccc2)CC)c(cc(cc1)Br)N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.095051
LogD (pH = 7.4)
4.102304
Log P
4.1023974
Molar Refractivity
82.171
Polarizability
30.395668
Polar Surface Area
29.26
Rotatable Bonds
4
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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