Molecule

ID:55369

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₃Br₂N
Molecular Mass
365.14712
Exact Mass
363.01972374
Charge
0
InChI
InChI=1S/C14H22BrN.BrH/c15-13-6-11-5-12(7-13)9-14(8-11,10-13)16-3-1-2-4-16;/h11-12H,1-10H2;1H
InChIKey
XTUYVGMTLWKKGF-UHFFFAOYSA-N
Canonic Smiles
BrC12CC3CC(C1)CC(C2)(C3)N1CCCC1.Br
Isomeric Smiles
C1CCCN1C12CC3CC(C1)(CC(C3)C2)Br.Br
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
-0.6315296
LogD (pH = 7.4)
0.16736884
Log P
2.8394592
Molar Refractivity
70.8189
Polarizability
27.74342
Polar Surface Area
3.24
Rotatable Bonds
1
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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