Molecule

ID:122129

General Information
Structure
MolImage
Molecular Formula
C₈H₁₅N₃
Molecular Mass
153.2248
Exact Mass
153.1265975
Charge
0
InChI
InChI=1S/C8H15N3/c1-3-4-5-11-7(2)6-8(9)10-11/h6H,3-5H2,1-2H3,(H2,9,10)
InChIKey
KQLIWCNXWHHVSE-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(nn1CCCC)N
Isomeric Smiles
n1n(c(cc1N)C)CCCC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.6715229
LogD (pH = 7.4)
1.6898589
Log P
1.6900978
Molar Refractivity
58.9986
Polarizability
17.310406
Polar Surface Area
43.84
Rotatable Bonds
3
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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