Molecule

ID:21482

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₈N₂O
Molecular Mass
218.29482
Exact Mass
218.14191321
Charge
0
InChI
InChI=1S/C13H18N2O/c14-12-7-5-11(6-8-12)13(16)15-9-3-1-2-4-10-15/h5-8H,1-4,9-10,14H2
InChIKey
OOOXUISFYMTSJI-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccc(cc1)N)N1CCCCCC1
Isomeric Smiles
C(=O)(N1CCCCCC1)c1ccc(N)cc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.7335321
LogD (pH = 7.4)
1.7372001
Log P
1.7372471
Molar Refractivity
66.3732
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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