Molecule

ID:69238

General Information
Structure
MolImage
Molecular Formula
C₉H₁₁N₃
Molecular Mass
161.20374
Exact Mass
161.09529737
Charge
0
InChI
InChI=1S/C9H11N3/c1-9(2,6-10)8-4-3-7(11)5-12-8/h3-5H,11H2,1-2H3
InChIKey
ONYGTHTZAUUIJI-UHFFFAOYSA-N
Canonic Smiles
N#CC(c1ccc(cn1)N)(C)C
Isomeric Smiles
C(#N)C(C)(C)c1ccc(cn1)N
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.0547035
LogD (pH = 7.4)
1.1064904
Log P
1.1071955
Molar Refractivity
47.5919
Polarizability
17.772064
Polar Surface Area
62.7
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
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Molecule Details
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References
Bioactivity
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