Molecule

ID:14623

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₈N₂O
Molecular Mass
218.29482
Exact Mass
218.14191321
Charge
0
InChI
InChI=1S/C13H18N2O/c1-10-6-8-15(9-7-10)13(16)11-2-4-12(14)5-3-11/h2-5,10H,6-9,14H2,1H3
InChIKey
SOVNVUQEIMQSDL-UHFFFAOYSA-N
Canonic Smiles
CC1CCN(CC1)C(=O)c1ccc(cc1)N
Isomeric Smiles
C(=O)(c1ccc(cc1)N)N1CCC(CC1)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.5765095
LogD (pH = 7.4)
1.5796572
Log P
1.5796975
Molar Refractivity
66.3208
Polarizability
24.618025
Polar Surface Area
46.33
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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