Molecule

ID:24513

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₇N₃
Molecular Mass
179.26208
Exact Mass
179.14224756
Charge
0
InChI
InChI=1S/C10H17N3/c1-11-5-3-7-13-9-10-4-2-6-12-8-10/h2,4,6,8,11,13H,3,5,7,9H2,1H3
InChIKey
WVJCWYJCNRALHO-UHFFFAOYSA-N
Canonic Smiles
CNCCCNCc1cccnc1
Isomeric Smiles
n1cc(CNCCCNC)ccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-5.4315505
LogD (pH = 7.4)
-3.365072
Log P
0.009478543
Molar Refractivity
54.7389
Polarizability
21.70964
Polar Surface Area
36.95
Rotatable Bonds
6
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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