Molecule

ID:33036

General Information
Structure
MolImage
Molecular Formula
C₇H₁₃N₃
Molecular Mass
139.19822
Exact Mass
139.11094743
Charge
0
InChI
InChI=1S/C7H13N3/c1-5-7(4-8)6(2)10(3)9-5/h4,8H2,1-3H3
InChIKey
DGVBHLRORWEBLP-UHFFFAOYSA-N
Canonic Smiles
NCc1c(C)nn(c1C)C
Isomeric Smiles
c1(c(n(nc1C)C)C)CN
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.0700433
LogD (pH = 7.4)
-1.8240961
Log P
-0.1421942
Molar Refractivity
53.176
Polarizability
15.782637
Polar Surface Area
43.84
Rotatable Bonds
1
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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