Molecule

ID:58968

General Information
Structure
Molecular Formula
C₇H₁₃N₃
Molecular Mass
139.19822
Exact Mass
139.11094743
Charge
0
InChI
InChI=1S/C7H13N3/c1-6(2)10-5-7(3-8)4-9-10/h4-6H,3,8H2,1-2H3
InChIKey
VMNKYEWGKWZUNI-UHFFFAOYSA-N
Canonic Smiles
NCc1cnn(c1)C(C)C
Isomeric Smiles
n1(ncc(c1)CN)C(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.6256535
LogD (pH = 7.4)
-1.3749365
Log P
0.3002573
Molar Refractivity
52.6022
Polarizability
15.942292
Polar Surface Area
43.84
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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