Molecule

ID:63268

General Information
Structure
MolImage
Molecular Formula
C₆H₈N₂O
Molecular Mass
124.14052
Exact Mass
124.06366289
Charge
0
InChI
InChI=1S/C6H8N2O/c1-8-4-2-3-5(7)6(8)9/h2-4H,7H2,1H3
InChIKey
IHSBTHXDCVIBPF-UHFFFAOYSA-N
Canonic Smiles
Cn1cccc(c1=O)N
Isomeric Smiles
c1(=O)n(cccc1N)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.6434743
LogD (pH = 7.4)
-0.64346737
Log P
-0.6434673
Molar Refractivity
36.5669
Polarizability
12.922327
Polar Surface Area
46.33
Rotatable Bonds
0
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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