Molecule

ID:25075

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₁N₃
Molecular Mass
195.30454
Exact Mass
195.17354769
Charge
0
InChI
InChI=1S/C11H21N3/c1-8(2)6-12-7-11-9(3)13-14(5)10(11)4/h8,12H,6-7H2,1-5H3
InChIKey
PQFSUJBYPWDJLZ-UHFFFAOYSA-N
Canonic Smiles
CC(CNCc1c(C)nn(c1C)C)C
Isomeric Smiles
c1(c(n(nc1C)C)C)CNCC(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.6464498
LogD (pH = 7.4)
-0.59425616
Log P
1.5346894
Molar Refractivity
71.6948
Polarizability
23.156933
Polar Surface Area
29.85
Rotatable Bonds
4
Lipinski's Rule of Five
true
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
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References
Bioactivity
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