Molecule

ID:30649

General Information
Structure
MolImage
Molecular Formula
C₈H₁₅N₃
Molecular Mass
153.2248
Exact Mass
153.1265975
Charge
0
InChI
InChI=1S/C8H15N3/c1-3-4-5-11-8(9)6-7(2)10-11/h6H,3-5,9H2,1-2H3
InChIKey
QOULOAPGXXMZCG-UHFFFAOYSA-N
Canonic Smiles
CCCCn1nc(cc1N)C
Isomeric Smiles
c1(n(nc(c1)C)CCCC)N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.088852
LogD (pH = 7.4)
1.1163777
Log P
1.1167401
Molar Refractivity
57.3802
Polarizability
17.314941
Polar Surface Area
43.84
Rotatable Bonds
3
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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