Molecule

ID:20796

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₁NO
Molecular Mass
219.32264
Exact Mass
219.1623143
Charge
0
InChI
InChI=1S/C14H21NO/c1-2-12-3-5-14(6-4-12)16-11-13-7-9-15-10-8-13/h3-6,13,15H,2,7-11H2,1H3
InChIKey
FDTYZKPMAMSPQV-UHFFFAOYSA-N
Canonic Smiles
CCc1ccc(cc1)OCC1CCNCC1
Isomeric Smiles
N1CCC(COc2ccc(cc2)CC)CC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.35349733
LogD (pH = 7.4)
0.10727346
Log P
2.8779235
Molar Refractivity
67.1378
Polarizability
26.482166
Polar Surface Area
21.26
Rotatable Bonds
4
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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