Molecule

ID:13555

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₇N₃
Molecular Mass
179.26208
Exact Mass
179.14224756
Charge
0
InChI
InChI=1S/C10H17N3/c1-13(2)7-6-12-9-10-4-3-5-11-8-10/h3-5,8,12H,6-7,9H2,1-2H3
InChIKey
XYGQVQONQGFXFY-UHFFFAOYSA-N
Canonic Smiles
CN(CCNCc1cccnc1)C
Isomeric Smiles
CN(CCNCc1cnccc1)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.9148493
LogD (pH = 7.4)
-1.3823436
Log P
0.33256674
Molar Refractivity
55.1682
Polarizability
21.70964
Polar Surface Area
28.16
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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