Molecule

ID:128860

General Information
Structure
MolImage
Molecular Formula
C₁₃H₃₃N₃++
Molecular Mass
231.42122
Exact Mass
231.26744807
Charge
2
InChI
InChI=1S/C13H33N3/c1-8-15(4,5)12-10-14(3)11-13-16(6,7)9-2/h8-13H2,1-7H3/q+2
InChIKey
NHWGPUVJQFTOQX-UHFFFAOYSA-N
Canonic Smiles
CC[N+](CCN(CC[N+](CC)(C)C)C)(C)C
Isomeric Smiles
CC[N+](C)(C)CCN(C)CC[N+](C)(C)CC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
-7.4230523
LogD (pH = 7.4)
-7.3841186
Log P
-7.383599
Molar Refractivity
97.3507
Polarizability
29.15692
Polar Surface Area
3.24
Rotatable Bonds
8
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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