Molecule

ID:63106

General Information
Structure
MolImage
Molecular Formula
C₈H₁₄N₄
Molecular Mass
166.22356
Exact Mass
166.12184647
Charge
0
InChI
InChI=1S/C8H14N4/c1-6(2)8-11-10-7-5-9-3-4-12(7)8/h6,9H,3-5H2,1-2H3
InChIKey
HLVMFESFZBIMBC-UHFFFAOYSA-N
Canonic Smiles
CC(c1nnc2n1CCNC2)C
Isomeric Smiles
c1(nnc2CNCCn12)C(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.3277074
LogD (pH = 7.4)
-0.1436628
Log P
-0.055422608
Molar Refractivity
48.3738
Polarizability
17.95204
Polar Surface Area
42.74
Rotatable Bonds
1
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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