Molecule

ID:102454

General Information
Structure
Molecular Formula
C₅H₁₁N₃O₂
Molecular Mass
145.15974
Exact Mass
145.08512661
Charge
0
InChI
InChI=1S/C5H11N3O2/c6-5(7)8-3-1-2-4(9)10/h1-3H2,(H,9,10)(H4,6,7,8)
InChIKey
TUHVEAJXIMEOSA-UHFFFAOYSA-N
Canonic Smiles
NC(=N)NCCCC(=O)O
Isomeric Smiles
NC(=N)NCCCC(=O)O
Calculated Properties
JChem
LogD (pH = 7.4)
-2.60
LogD (pH = 5.5)
-2.62
Log P
-2.60
Rotatable Bonds
4
H Donor
4
H Acceptors
5
Lipinski's Rule of Five
true
Acid pKa
12.54
Polar Surface Area
99.20
Polarizability
14.66
Molar Refractivity
46.17
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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