Molecule

ID:20801

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₉NO
Molecular Mass
241.32816
Exact Mass
241.14666423
Charge
0
InChI
InChI=1S/C16H19NO/c1-2-4-15-11-16(6-5-14(15)3-1)18-12-13-7-9-17-10-8-13/h1-6,11,13,17H,7-10,12H2
InChIKey
MUOXAGUZMVATIC-UHFFFAOYSA-N
Canonic Smiles
N1CCC(CC1)COc1ccc2c(c1)cccc2
Isomeric Smiles
c12cc(OCC3CCNCC3)ccc1cccc2
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
30.460701
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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