Molecule

ID:124153

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₈N₂O₂
Molecular Mass
222.28352
Exact Mass
222.13682783
Charge
0
InChI
InChI=1S/C12H18N2O2/c1-8(2)16-11-6-5-9(7-10(11)13)12(15)14(3)4/h5-8H,13H2,1-4H3
InChIKey
YYOJNGKWBZCOQM-UHFFFAOYSA-N
Canonic Smiles
CC(Oc1ccc(cc1N)C(=O)N(C)C)C
Isomeric Smiles
C(=O)(c1cc(c(OC(C)C)cc1)N)N(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.0555241
LogD (pH = 7.4)
1.0579925
Log P
1.058024
Molar Refractivity
65.2608
Polarizability
24.18545
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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