Molecule

ID:21934

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₈N₂O
Molecular Mass
218.29482
Exact Mass
218.14191321
Charge
0
InChI
InChI=1S/C13H18N2O/c14-11-6-4-5-10(9-11)13(16)15-12-7-2-1-3-8-12/h4-6,9,12H,1-3,7-8,14H2,(H,15,16)
InChIKey
GKUCHYKDKUUYTR-UHFFFAOYSA-N
Canonic Smiles
Nc1cccc(c1)C(=O)NC1CCCCC1
Isomeric Smiles
C(=O)(NC1CCCCC1)c1cc(N)ccc1
Calculated Properties
JChem
Acid pKa
15.236994
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.0150917
LogD (pH = 7.4)
2.0178711
Log P
2.0179067
Molar Refractivity
65.7477
Polarizability
24.619074
Polar Surface Area
55.12
Rotatable Bonds
2
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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