Molecule

ID:116166

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₆N₂O₂
Molecular Mass
220.26764
Exact Mass
220.12117776
Charge
0
InChI
InChI=1S/C12H16N2O2/c1-13-6-8-14(9-7-13)12(16)10-2-4-11(15)5-3-10/h2-5,15H,6-9H2,1H3
InChIKey
NGNUDVSZXGEJKN-UHFFFAOYSA-N
Canonic Smiles
CN1CCN(CC1)C(=O)c1ccc(cc1)O
Isomeric Smiles
C(=O)(N1CCN(CC1)C)c1ccc(cc1)O
Calculated Properties
JChem
Acid pKa
8.471337
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.566632
LogD (pH = 7.4)
0.6676686
Log P
0.6560508
Molar Refractivity
62.9608
Polarizability
23.770254
Polar Surface Area
43.78
Rotatable Bonds
1
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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