Molecule

ID:122143

General Information
Structure
MolImage
Molecular Formula
C₆H₁₁N₃
Molecular Mass
125.17164
Exact Mass
125.09529737
Charge
0
InChI
InChI=1S/C6H11N3/c1-2-9-4-3-6(5-7)8-9/h3-4H,2,5,7H2,1H3
InChIKey
LLUVLTBWVXCDQN-UHFFFAOYSA-N
Canonic Smiles
NCc1ccn(n1)CC
Isomeric Smiles
n1n(ccc1CN)CC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.6834133
LogD (pH = 7.4)
-1.0530142
Log P
-0.034845844
Molar Refractivity
47.6612
Polarizability
14.100829
Polar Surface Area
43.84
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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