Molecule

ID:58658

General Information
Structure
MolImage
Molecular Formula
C₇H₉N₃O
Molecular Mass
151.16586
Exact Mass
151.07456192
Charge
0
InChI
InChI=1S/C7H9N3O/c8-7-9-3-5-4-11-2-1-6(5)10-7/h3H,1-2,4H2,(H2,8,9,10)
InChIKey
HELHIZDMAGHEJO-UHFFFAOYSA-N
Canonic Smiles
Nc1ncc2c(n1)CCOC2
Isomeric Smiles
C1COCc2c1nc(nc2)N
Calculated Properties
JChem
Acid pKa
16.677303
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.16159375
LogD (pH = 7.4)
-0.15500057
Log P
-0.15491581
Molar Refractivity
41.6676
Polarizability
15.111445
Polar Surface Area
61.03
Rotatable Bonds
0
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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