Molecule

ID:31292

General Information
Structure
MolImage
Molecular Formula
C₆H₁₁N₃
Molecular Mass
125.17164
Exact Mass
125.09529737
Charge
0
InChI
InChI=1S/C6H11N3/c1-7-5-6-3-4-8-9(6)2/h3-4,7H,5H2,1-2H3
InChIKey
CHGIPIYKGPNYKT-UHFFFAOYSA-N
Canonic Smiles
CNCc1ccnn1C
Isomeric Smiles
n1(c(ccn1)CNC)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.0112674
LogD (pH = 7.4)
-1.3862457
Log P
-0.12054417
Molar Refractivity
48.0869
Polarizability
14.100752
Polar Surface Area
29.85
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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