Molecule

ID:89616

General Information
Structure
Molecular Formula
C₇H₁₀N₂O
Molecular Mass
138.1671
Exact Mass
138.07931295
Charge
0
InChI
InChI=1S/C7H10N2O/c1-10-7-3-2-6(4-8)5-9-7/h2-3,5H,4,8H2,1H3
InChIKey
AUOIYQDHPOAYQZ-UHFFFAOYSA-N
Canonic Smiles
NCc1ccc(nc1)OC
Isomeric Smiles
n1c(ccc(c1)CN)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.6240644
LogD (pH = 7.4)
-1.431828
Log P
0.31812808
Molar Refractivity
39.1512
Polarizability
15.312547
Polar Surface Area
48.14
Rotatable Bonds
2
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
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Molecule Details
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References
Bioactivity
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