Molecule

ID:74543

General Information
Structure
MolImage
Molecular Formula
C₆H₁₁N₃
Molecular Mass
125.17164
Exact Mass
125.09529737
Charge
0
InChI
InChI=1S/C6H11N3/c1-5-3-6(4-7)9(2)8-5/h3H,4,7H2,1-2H3
InChIKey
DAOWQCXPMWGSBW-UHFFFAOYSA-N
Canonic Smiles
Cn1nc(cc1CN)C
Isomeric Smiles
n1c(cc(n1C)CN)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.246832
LogD (pH = 7.4)
-1.7752768
Log P
-0.4217544
Molar Refractivity
47.9038
Polarizability
14.020397
Polar Surface Area
43.84
Rotatable Bonds
1
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
No Data Available
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Molecule Details
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References
Bioactivity
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