Molecule

ID:57098

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(2)7(4-8)5-9-10/h5H,3-4,8H2,1-2H3
InChIKey
WYHPBQDJDVJZBQ-UHFFFAOYSA-N
Canonic Smiles
NCc1cnn(c1C)CC
Isomeric Smiles
n1(c(c(cn1)CN)C)CC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.847126
LogD (pH = 7.4)
-1.6112686
Log P
0.083243586
Molar Refractivity
53.3331
Polarizability
15.863096
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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