Molecule

ID:13261

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₁NO
Molecular Mass
219.32264
Exact Mass
219.1623143
Charge
0
InChI
InChI=1S/C14H21NO/c1-2-12-5-7-13(8-6-12)10-15-11-14-4-3-9-16-14/h5-8,14-15H,2-4,9-11H2,1H3
InChIKey
XBUDNMPAZHJEHW-UHFFFAOYSA-N
Canonic Smiles
CCc1ccc(cc1)CNCC1CCCO1
Isomeric Smiles
C1CC(OC1)CNCc1ccc(cc1)CC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.23231225
LogD (pH = 7.4)
1.002143
Log P
2.9081738
Molar Refractivity
67.2029
Polarizability
26.495337
Polar Surface Area
21.26
Rotatable Bonds
5
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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