Molecule

ID:18862

General Information
Structure
MolImage
Molecular Formula
C₈H₁₅N₃
Molecular Mass
153.2248
Exact Mass
153.1265975
Charge
0
InChI
InChI=1S/C8H15N3/c1-5(9)8-6(2)10-11(4)7(8)3/h5H,9H2,1-4H3
InChIKey
ZTWKRDLLRAVAFV-UHFFFAOYSA-N
Canonic Smiles
CC(c1c(C)nn(c1C)C)N
Isomeric Smiles
c1(c(nn(c1C)C)C)C(N)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.6943054
LogD (pH = 7.4)
-1.6240507
Log P
0.27438083
Molar Refractivity
57.5948
Polarizability
17.624859
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
References
Bioactivity
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