Molecule

ID:41846

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀N₂O₂
Molecular Mass
166.1772
Exact Mass
166.07422757
Charge
0
InChI
InChI=1S/C8H10N2O2/c1-12-8(11)5-2-6(9)4-7(10)3-5/h2-4H,9-10H2,1H3
InChIKey
IYWLDOMAEQHKJZ-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1cc(N)cc(c1)N
Isomeric Smiles
c1(C(=O)OC)cc(cc(c1)N)N
Calculated Properties
JChem
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.3111996
LogD (pH = 7.4)
0.31877345
Log P
0.31887087
Molar Refractivity
47.4841
Polarizability
17.044514
Polar Surface Area
78.34
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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