Molecule

ID:123956

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄N₂O₂
Molecular Mass
194.23036
Exact Mass
194.1055277
Charge
0
InChI
InChI=1S/C10H14N2O2/c1-12(2)9-5-4-7(6-8(9)11)10(13)14-3/h4-6H,11H2,1-3H3
InChIKey
GOHFIZZBXDXZSR-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccc(c(c1)N)N(C)C
Isomeric Smiles
c1(c(ccc(C(=O)OC)c1)N(C)C)N
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.2548044
LogD (pH = 7.4)
1.2558277
Log P
1.2558407
Molar Refractivity
57.2123
Polarizability
20.714548
Polar Surface Area
55.56
Rotatable Bonds
3
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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