Molecule

ID:60324

General Information
Structure
MolImage
Molecular Formula
C₆H₉N₃O₂
Molecular Mass
155.15456
Exact Mass
155.06947654
Charge
0
InChI
InChI=1S/C6H9N3O2/c1-11-6(10)4-9-3-2-5(7)8-9/h2-3H,4H2,1H3,(H2,7,8)
InChIKey
AXUGRGMAYULTQT-UHFFFAOYSA-N
Canonic Smiles
COC(=O)Cn1ccc(n1)N
Isomeric Smiles
n1(ccc(n1)N)CC(=O)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.21458815
LogD (pH = 7.4)
-0.2095498
Log P
-0.20948519
Molar Refractivity
50.829
Polarizability
14.635498
Polar Surface Area
70.14
Rotatable Bonds
3
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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