Molecule

ID:16094

General Information
Structure
MolImage
Molecular Formula
C₇H₁₃N₃
Molecular Mass
139.19822
Exact Mass
139.11094743
Charge
0
InChI
InChI=1S/C7H13N3/c1-5(2)10-7(8)4-6(3)9-10/h4-5H,8H2,1-3H3
InChIKey
OCSWHADWFJTNAZ-UHFFFAOYSA-N
Canonic Smiles
Cc1nn(c(c1)N)C(C)C
Isomeric Smiles
n1(c(cc(n1)C)N)C(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.53997916
LogD (pH = 7.4)
0.56588364
Log P
0.5662241
Molar Refractivity
52.674
Polarizability
15.473958
Polar Surface Area
43.84
Rotatable Bonds
1
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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