Molecule

ID:74159

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆N₂O₂
Molecular Mass
208.25694
Exact Mass
208.12117776
Charge
0
InChI
InChI=1S/C11H16N2O2/c1-7(2)13-10-5-4-8(6-9(10)12)11(14)15-3/h4-7,13H,12H2,1-3H3
InChIKey
HLELQEAHNDLXDC-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccc(c(c1)N)NC(C)C
Isomeric Smiles
O(C(=O)c1cc(c(cc1)NC(C)C)N)C
Calculated Properties
JChem
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
1.3865427
LogD (pH = 7.4)
1.3938638
Log P
1.393958
Molar Refractivity
62.1449
Polarizability
22.553318
Polar Surface Area
64.35
Rotatable Bonds
4
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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