Molecule

ID:66876

General Information
Structure
MolImage
Molecular Formula
C₅H₇N₃O
Molecular Mass
125.12858
Exact Mass
125.05891186
Charge
0
InChI
InChI=1S/C5H7N3O/c1-9-5-3-7-4(6)2-8-5/h2-3H,1H3,(H2,6,7)
InChIKey
BWXBZAOCBVXFMQ-UHFFFAOYSA-N
Canonic Smiles
COc1cnc(cn1)N
Isomeric Smiles
c1(cnc(cn1)OC)N
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.25983444
LogD (pH = 7.4)
-0.25978187
Log P
-0.2597812
Molar Refractivity
33.5348
Polarizability
12.234155
Polar Surface Area
61.03
Rotatable Bonds
1
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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