Molecule

ID:74665

General Information
Structure
MolImage
Molecular Formula
C₇H₁₃N₃
Molecular Mass
139.19822
Exact Mass
139.11094743
Charge
0
InChI
InChI=1S/C7H13N3/c1-3-10-7(5-8)4-6(2)9-10/h4H,3,5,8H2,1-2H3
InChIKey
CRKVANJUTCKFTC-UHFFFAOYSA-N
Canonic Smiles
NCc1cc(nn1CC)C
Isomeric Smiles
n1c(cc(n1CC)CN)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.888746
LogD (pH = 7.4)
-1.4153926
Log P
-0.06494644
Molar Refractivity
52.6524
Polarizability
15.862282
Polar Surface Area
43.84
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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