Molecule

ID:31353

General Information
Structure
Molecular Formula
C₆H₁₁N₃
Molecular Mass
125.17164
Exact Mass
125.09529737
Charge
0
InChI
InChI=1S/C6H11N3/c1-2-4-9-5-3-6(7)8-9/h3,5H,2,4H2,1H3,(H2,7,8)
InChIKey
LONOODCVABUHFO-UHFFFAOYSA-N
Canonic Smiles
CCCn1ccc(n1)N
Isomeric Smiles
n1c(ccn1CCC)N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.0393777
LogD (pH = 7.4)
1.0458843
Log P
1.0459678
Molar Refractivity
49.2479
Polarizability
13.708104
Polar Surface Area
43.84
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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