Molecule

ID:30380

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₈N₂O
Molecular Mass
218.29482
Exact Mass
218.14191321
Charge
0
InChI
InChI=1S/C13H18N2O/c1-10-4-2-3-9-15(10)13(16)11-5-7-12(14)8-6-11/h5-8,10H,2-4,9,14H2,1H3
InChIKey
IBXPEPBLFYRMOV-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1)C(=O)N1CCCCC1C
Isomeric Smiles
N1(C(=O)c2ccc(N)cc2)C(C)CCCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.705573
LogD (pH = 7.4)
1.7092069
Log P
1.7092534
Molar Refractivity
66.191
Polarizability
24.617994
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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