Molecule

ID:20800

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₉NO
Molecular Mass
241.32816
Exact Mass
241.14666423
Charge
0
InChI
InChI=1S/C16H19NO/c1-2-6-15-14(4-1)5-3-7-16(15)18-12-13-8-10-17-11-9-13/h1-7,13,17H,8-12H2
InChIKey
DZLIUBRSCXZJIL-UHFFFAOYSA-N
Canonic Smiles
N1CCC(CC1)COc1cccc2c1cccc2
Isomeric Smiles
c12c(OCC3CCNCC3)cccc1cccc2
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.32201064
LogD (pH = 7.4)
0.13876016
Log P
2.9094102
Molar Refractivity
73.9458
Polarizability
30.464697
Polar Surface Area
21.26
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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