Molecule

ID:131179

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₆N₂O₂
Molecular Mass
244.28904
Exact Mass
244.12117776
Charge
0
InChI
InChI=1S/C14H16N2O2/c1-9(15)14(17)16-11-7-10-5-3-4-6-12(10)13(8-11)18-2/h3-9H,15H2,1-2H3,(H,16,17)/t9-/m0/s1
InChIKey
HHHWOVLNFWAAAF-VIFPVBQESA-N
Canonic Smiles
COc1cc(NC(=O)[C@@H](N)C)cc2c1cccc2
Isomeric Smiles
C[C@@H](C(=O)Nc1cc2ccccc2c(c1)OC)N
Calculated Properties
JChem
Acid pKa
12.9111395
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.86635053
LogD (pH = 7.4)
0.8023324
Log P
1.687396
Molar Refractivity
71.688
Polarizability
28.621288
Polar Surface Area
64.35
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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