Molecule

ID:19546

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₉NO
Molecular Mass
241.32816
Exact Mass
241.14666423
Charge
0
InChI
InChI=1S/C16H19NO/c1-16(2,3)12-8-10-13(11-9-12)18-15-7-5-4-6-14(15)17/h4-11H,17H2,1-3H3
InChIKey
YGZXSSOPRWYUMO-UHFFFAOYSA-N
Canonic Smiles
Nc1ccccc1Oc1ccc(cc1)C(C)(C)C
Isomeric Smiles
c1(Oc2ccc(C(C)(C)C)cc2)c(N)cccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
4.1875772
LogD (pH = 7.4)
4.189637
Log P
4.1896634
Molar Refractivity
75.6651
Polarizability
29.126966
Polar Surface Area
35.25
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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