Molecule

ID:123921

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄N₂O₂
Molecular Mass
194.23036
Exact Mass
194.1055277
Charge
0
InChI
InChI=1S/C10H14N2O2/c1-12(2)10(13)8-6-7(11)4-5-9(8)14-3/h4-6H,11H2,1-3H3
InChIKey
AJVBTKWDYGBNGY-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1C(=O)N(C)C)N
Isomeric Smiles
c1(C(=O)N(C)C)c(ccc(c1)N)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.2693015
LogD (pH = 7.4)
0.28444445
Log P
0.28464103
Molar Refractivity
56.0934
Polarizability
20.510595
Polar Surface Area
55.56
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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