Molecule

ID:24795

General Information
Structure
MolImage
Molecular Formula
C₇H₁₃N₃
Molecular Mass
139.19822
Exact Mass
139.11094743
Charge
0
InChI
InChI=1S/C7H13N3/c1-6-4-7(5-8-2)10(3)9-6/h4,8H,5H2,1-3H3
InChIKey
RTTFXSJNRLYKMF-UHFFFAOYSA-N
Canonic Smiles
CNCc1cc(nn1C)C
Isomeric Smiles
n1(nc(cc1CNC)C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.8776643
LogD (pH = 7.4)
-1.2507708
Log P
0.010825996
Molar Refractivity
52.6784
Polarizability
15.862418
Polar Surface Area
29.85
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
No Data Available
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Molecule Details
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References
Bioactivity
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