Molecule

ID:117869

General Information
Structure
MolImage
Molecular Formula
C₈H₈N₂O
Molecular Mass
148.16192
Exact Mass
148.06366289
Charge
0
InChI
InChI=1S/C8H8N2O/c9-4-5-11-8-3-1-2-7(10)6-8/h1-3,6H,5,10H2
InChIKey
BIHMHFUQWCIATN-UHFFFAOYSA-N
Canonic Smiles
N#CCOc1cccc(c1)N
Isomeric Smiles
N#CCOc1cc(N)ccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.5156545
LogD (pH = 7.4)
0.5224929
Log P
0.52258074
Molar Refractivity
42.2855
Polarizability
15.670501
Polar Surface Area
59.04
Rotatable Bonds
2
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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