Molecule

ID:50200

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₁NO
Molecular Mass
219.32264
Exact Mass
219.1623143
Charge
0
InChI
InChI=1S/C14H21NO/c1-2-8-14(9-3-1)16-11-5-7-13-6-4-10-15-12-13/h1-3,8-9,13,15H,4-7,10-12H2
InChIKey
CQDUAPWOKYJVMS-UHFFFAOYSA-N
Canonic Smiles
C1CCC(CN1)CCCOc1ccccc1
Isomeric Smiles
N1CC(CCCOc2ccccc2)CCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.4253116
LogD (pH = 7.4)
-0.05121597
Log P
2.8090708
Molar Refractivity
66.6976
Polarizability
26.563555
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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