Molecule

ID:48299

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₀BrN₃
Molecular Mass
346.2648
Exact Mass
345.08405966
Charge
0
InChI
InChI=1S/C17H20BrN3/c1-14-11-17(19-12-16(14)18)21-9-7-20(8-10-21)13-15-5-3-2-4-6-15/h2-6,11-12H,7-10,13H2,1H3
InChIKey
HGMURYNQWQEWPR-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(ncc1Br)N1CCN(CC1)Cc1ccccc1
Isomeric Smiles
c1(N2CCN(Cc3ccccc3)CC2)ncc(c(c1)C)Br
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.0264778
LogD (pH = 7.4)
3.7783687
Log P
4.3118415
Molar Refractivity
91.9699
Polarizability
34.61315
Polar Surface Area
19.37
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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