Molecule

ID:124736

General Information
Structure
MolImage
Molecular Formula
C₉H₉N₃O₃
Molecular Mass
207.18606
Exact Mass
207.06439116
Charge
0
InChI
InChI=1S/C9H9N3O3/c1-14-9(13)8-3-2-7(15-8)4-12-6-10-5-11-12/h2-3,5-6H,4H2,1H3
InChIKey
RTRIEVMZWYJOQF-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccc(o1)Cn1cncn1
Isomeric Smiles
c1(oc(cc1)Cn1ncnc1)C(=O)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.42257005
LogD (pH = 7.4)
0.42278138
Log P
0.4227841
Molar Refractivity
63.0418
Polarizability
19.030405
Polar Surface Area
70.15
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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