Molecule

ID:20658

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₁NO
Molecular Mass
219.32264
Exact Mass
219.1623143
Charge
0
InChI
InChI=1S/C14H21NO/c1-12-4-2-5-13(8-12)10-16-11-14-6-3-7-15-9-14/h2,4-5,8,14-15H,3,6-7,9-11H2,1H3
InChIKey
REQIANPKMILSCH-UHFFFAOYSA-N
Canonic Smiles
Cc1cccc(c1)COCC1CCCNC1
Isomeric Smiles
N1CC(COCc2cc(ccc2)C)CCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.7208723
LogD (pH = 7.4)
-0.20592421
Log P
2.5083597
Molar Refractivity
67.5419
Polarizability
26.49439
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
No Data Available
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Molecule Details
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References
Bioactivity
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