Molecule

ID:13532

General Information
Structure
MolImage
Molecular Formula
C₆H₁₁N₃
Molecular Mass
125.17164
Exact Mass
125.09529737
Charge
0
InChI
InChI=1S/C6H11N3/c1-2-5-9-6(7)3-4-8-9/h3-4H,2,5,7H2,1H3
InChIKey
OPRZPQAAUXRYDU-UHFFFAOYSA-N
Canonic Smiles
CCCn1nccc1N
Isomeric Smiles
n1(nccc1N)CCC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.53704333
LogD (pH = 7.4)
0.5407538
Log P
0.5408013
Molar Refractivity
48.1877
Polarizability
13.713915
Polar Surface Area
43.84
Rotatable Bonds
2
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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