Molecule

ID:33048

General Information
Structure
MolImage
Molecular Formula
C₇H₁₃N₃
Molecular Mass
139.19822
Exact Mass
139.11094743
Charge
0
InChI
InChI=1S/C7H13N3/c1-3-10-6-7(4-8-2)5-9-10/h5-6,8H,3-4H2,1-2H3
InChIKey
LNLBAJDAQVQFBD-UHFFFAOYSA-N
Canonic Smiles
CNCc1cnn(c1)CC
Isomeric Smiles
n1n(cc(c1)CNC)CC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.7591393
LogD (pH = 7.4)
-1.353057
Log P
0.31626266
Molar Refractivity
52.958
Polarizability
15.942425
Polar Surface Area
29.85
Rotatable Bonds
3
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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