Molecule

ID:33550

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂₂N₂
Molecular Mass
170.29508
Exact Mass
170.17829871
Charge
0
InChI
InChI=1S/C10H22N2/c1-3-12(2)10(9-11)7-5-4-6-8-10/h3-9,11H2,1-2H3
InChIKey
IRJZFGMWHRHSRU-UHFFFAOYSA-N
Canonic Smiles
NCC1(CCCCC1)N(CC)C
Isomeric Smiles
C1(N(CC)C)(CN)CCCCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.515993
LogD (pH = 7.4)
-1.4411434
Log P
1.4730328
Molar Refractivity
53.5903
Polarizability
21.50448
Polar Surface Area
29.26
Rotatable Bonds
3
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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