Molecule

ID:75276

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀N₂O₂
Molecular Mass
166.1772
Exact Mass
166.07422757
Charge
0
InChI
InChI=1S/C8H10N2O2/c1-10(2)8(11)12-7-4-3-5-9-6-7/h3-6H,1-2H3
InChIKey
VZELUFSMNDBCBO-UHFFFAOYSA-N
Canonic Smiles
O=C(N(C)C)Oc1cccnc1
Isomeric Smiles
n1cc(ccc1)OC(=O)N(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.46869624
LogD (pH = 7.4)
0.47653982
Log P
0.47664097
Molar Refractivity
43.5036
Polarizability
16.856493
Polar Surface Area
42.43
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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