Molecule

ID:25092

General Information
Structure
MolImage
Molecular Formula
C₈H₁₅N₃O
Molecular Mass
169.2242
Exact Mass
169.12151212
Charge
0
InChI
InChI=1S/C8H15N3O/c1-4-7-10-11-8(12-7)5-9-6(2)3/h6,9H,4-5H2,1-3H3
InChIKey
BBJQHAJAIIFZFI-UHFFFAOYSA-N
Canonic Smiles
CCc1nnc(o1)CNC(C)C
Isomeric Smiles
n1nc(oc1CNC(C)C)CC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.5742917
LogD (pH = 7.4)
-0.055087004
Log P
0.18318439
Molar Refractivity
47.7936
Polarizability
17.943401
Polar Surface Area
50.95
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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