Molecule

ID:38241

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₄Br₂N₂
Molecular Mass
380.16176
Exact Mass
378.03062278
Charge
0
InChI
InChI=1S/C14H22N2.2BrH/c15-10-9-14-8-4-5-11-16(14)12-13-6-2-1-3-7-13;;/h1-3,6-7,14H,4-5,8-12,15H2;2*1H
InChIKey
JYSPHCYVBOAJPX-UHFFFAOYSA-N
Canonic Smiles
NCCC1CCCCN1Cc1ccccc1.Br.Br
Isomeric Smiles
N1(Cc2ccccc2)C(CCN)CCCC1.Br.Br
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-4.0375295
LogD (pH = 7.4)
-1.9889855
Log P
2.0877516
Molar Refractivity
69.2281
Polarizability
27.447319
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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