Molecule

ID:124707

General Information
Structure
MolImage
Molecular Formula
C₈H₁₅N₃
Molecular Mass
153.2248
Exact Mass
153.1265975
Charge
0
InChI
InChI=1S/C8H15N3/c1-4-5-11-7(3)8(9)6(2)10-11/h4-5,9H2,1-3H3
InChIKey
XUIRYBSONPAXHG-UHFFFAOYSA-N
Canonic Smiles
CCCn1nc(c(c1C)N)C
Isomeric Smiles
n1n(c(c(c1C)N)C)CCC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.781433
LogD (pH = 7.4)
0.78242904
Log P
0.78244174
Molar Refractivity
58.6756
Polarizability
17.238317
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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