Molecule

ID:20679

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₁NO
Molecular Mass
219.32264
Exact Mass
219.1623143
Charge
0
InChI
InChI=1S/C14H21NO/c1-11-5-6-12(2)14(8-11)16-10-13-4-3-7-15-9-13/h5-6,8,13,15H,3-4,7,9-10H2,1-2H3
InChIKey
ZTHMZFJPWWTDJI-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(c(c1)OCC1CCCNC1)C
Isomeric Smiles
c1(OCC2CNCCC2)c(ccc(c1)C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.23355421
LogD (pH = 7.4)
0.42403305
Log P
2.988333
Molar Refractivity
67.4792
Polarizability
26.404472
Polar Surface Area
21.26
Rotatable Bonds
3
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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