Molecule

ID:39958

General Information
Structure
MolImage
Molecular Formula
C₄H₇N₅
Molecular Mass
125.13188
Exact Mass
125.07014525
Charge
0
InChI
InChI=1S/C4H7N5/c5-4(6)1-9-3-7-2-8-9/h2-3H,1H2,(H3,5,6)
InChIKey
ZONUQYCSOJPVAY-UHFFFAOYSA-N
Canonic Smiles
NC(=N)Cn1cncn1
Isomeric Smiles
n1cnn(CC(=N)N)c1
Calculated Properties
JChem
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-3.958301
LogD (pH = 7.4)
-3.831819
Log P
-1.5445449
Molar Refractivity
54.6364
Polarizability
11.858679
Polar Surface Area
80.58
Rotatable Bonds
2
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
No Data Available
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Molecule Details
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References
Bioactivity
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