Molecule

ID:48426

General Information
Structure
MolImage
Molecular Formula
C₈H₁₃N₃
Molecular Mass
151.20892
Exact Mass
151.11094743
Charge
0
InChI
InChI=1S/C8H13N3/c1-11(2)8-7(6-9)4-3-5-10-8/h3-5H,6,9H2,1-2H3
InChIKey
LRMLNAXJNYRHHZ-UHFFFAOYSA-N
Canonic Smiles
NCc1cccnc1N(C)C
Isomeric Smiles
c1(c(CN)cccn1)N(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.2882528
LogD (pH = 7.4)
-0.76705366
Log P
0.58384323
Molar Refractivity
47.1166
Polarizability
17.620197
Polar Surface Area
42.15
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
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Molecule Details
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References
Bioactivity
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