Molecule

ID:24564

General Information
Structure
MolImage
Molecular Formula
C₇H₁₄N₄
Molecular Mass
154.21286
Exact Mass
154.12184647
Charge
0
InChI
InChI=1S/C7H14N4/c8-7-1-9-4-10(2-7)6-11(3-7)5-9/h1-6,8H2
InChIKey
WXMJWQSOWLXJOA-UHFFFAOYSA-N
Canonic Smiles
NC12CN3CN(C2)CN(C1)C3
Isomeric Smiles
N12CN3CN(C1)CC(C3)(C2)N
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-3.4581316
LogD (pH = 7.4)
-1.7110089
Log P
-0.7702615
Molar Refractivity
42.0574
Polarizability
17.543316
Polar Surface Area
35.74
Rotatable Bonds
0
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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