Molecule

ID:125653

General Information
Structure
MolImage
Molecular Formula
C₅H₁₄N₄
Molecular Mass
130.19146
Exact Mass
130.12184647
Charge
0
InChI
InChI=1S/C5H14N4/c6-3-1-2-4-9-5(7)8/h1-4,6H2,(H4,7,8,9)
InChIKey
QYPPJABKJHAVHS-UHFFFAOYSA-N
Canonic Smiles
NCCCCNC(=N)N
Isomeric Smiles
NCCCCNC(=N)N
Calculated Properties
JChem
LogD (pH = 7.4)
-5.89
LogD (pH = 5.5)
-6.60
Log P
-1.18
Rotatable Bonds
4
H Donor
4
H Acceptors
4
Lipinski's Rule of Five
true
Acid pKa
12.61
Polar Surface Area
87.92
Polarizability
15.01
Molar Refractivity
48.09
LOG S
0.19
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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