Molecule

ID:33855

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₉N₃
Molecular Mass
181.27796
Exact Mass
181.15789762
Charge
0
InChI
InChI=1S/C10H19N3/c1-5-13-8-9(7-12-13)6-11-10(2,3)4/h7-8,11H,5-6H2,1-4H3
InChIKey
JMYWLOHKVIPFJR-UHFFFAOYSA-N
Canonic Smiles
CCn1ncc(c1)CNC(C)(C)C
Isomeric Smiles
n1n(cc(c1)CNC(C)(C)C)CC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.7721004
LogD (pH = 7.4)
-0.5441081
Log P
1.3702223
Molar Refractivity
66.7636
Polarizability
21.474318
Polar Surface Area
29.85
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
No Data Available
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Molecule Details
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References
Bioactivity
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