Molecule

ID:28315

General Information
Structure
MolImage
Molecular Formula
C₈H₁₅N₃
Molecular Mass
153.2248
Exact Mass
153.1265975
Charge
0
InChI
InChI=1S/C8H15N3/c1-8(2,3)7-4-6(5-9)10-11-7/h4H,5,9H2,1-3H3,(H,10,11)
InChIKey
UPXAEMPLVMJWAL-UHFFFAOYSA-N
Canonic Smiles
NCc1[nH]nc(c1)C(C)(C)C
Isomeric Smiles
n1c(cc([nH]1)CN)C(C)(C)C
Calculated Properties
JChem
Acid pKa
14.433153
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-1.5757539
LogD (pH = 7.4)
-0.111582324
Log P
1.2541059
Molar Refractivity
46.3902
Polarizability
17.786127
Polar Surface Area
54.7
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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