Molecule

ID:91971

General Information
Structure
MolImage
Molecular Formula
C₂₁H₄₅N₃
Molecular Mass
339.6021
Exact Mass
339.36134846
Charge
0
InChI
InChI=1S/C21H45N3/c1-6-10-12-19(8-3)14-23-16-21(5,22)17-24(18-23)15-20(9-4)13-11-7-2/h19-20H,6-18,22H2,1-5H3
InChIKey
DTOUUUZOYKYHEP-UHFFFAOYSA-N
Canonic Smiles
CCCCC(CN1CN(CC(CCCC)CC)CC(C1)(C)N)CC
Isomeric Smiles
N1(CN(CC(C1)(C)N)CC(CCCC)CC)CC(CCCC)CC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.0085523
LogD (pH = 7.4)
4.0044155
Log P
5.7359056
Molar Refractivity
107.4023
Polarizability
43.3371
Polar Surface Area
32.5
Rotatable Bonds
12
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
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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