Molecule

ID:24981

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₉N₃
Molecular Mass
181.27796
Exact Mass
181.15789762
Charge
0
InChI
InChI=1S/C10H19N3/c1-4-6-13-10(8-11-5-2)7-9(3)12-13/h7,11H,4-6,8H2,1-3H3
InChIKey
LDLZGVGODUGYCC-UHFFFAOYSA-N
Canonic Smiles
CCNCc1cc(nn1CCC)C
Isomeric Smiles
n1(nc(cc1CNCC)C)CCC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.6822337
LogD (pH = 7.4)
-0.08612302
Log P
1.2469643
Molar Refractivity
66.6996
Polarizability
21.393173
Polar Surface Area
29.85
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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