Molecule

ID:23453

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆N₂O₂
Molecular Mass
208.25694
Exact Mass
208.12117776
Charge
0
InChI
InChI=1S/C11H16N2O2/c1-15-8-2-7-13-11(14)9-3-5-10(12)6-4-9/h3-6H,2,7-8,12H2,1H3,(H,13,14)
InChIKey
UILREOOQIPNIRN-UHFFFAOYSA-N
Canonic Smiles
COCCCNC(=O)c1ccc(cc1)N
Isomeric Smiles
C(=O)(c1ccc(N)cc1)NCCCOC
Calculated Properties
JChem
Acid pKa
15.768103
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.2284684
LogD (pH = 7.4)
0.23158063
Log P
0.23162045
Molar Refractivity
60.6424
Polarizability
22.362185
Polar Surface Area
64.35
Rotatable Bonds
5
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
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References
Bioactivity
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