Molecule

ID:13237

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₉NO
Molecular Mass
241.32816
Exact Mass
241.14666423
Charge
0
InChI
InChI=1S/C16H19NO/c1-13-3-5-14(6-4-13)11-17-12-15-7-9-16(18-2)10-8-15/h3-10,17H,11-12H2,1-2H3
InChIKey
UDAMQTRGVKVYKM-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)CNCc1ccc(cc1)C
Isomeric Smiles
c1c(ccc(c1)CNCc1ccc(cc1)C)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.5367397
LogD (pH = 7.4)
1.9434178
Log P
3.6118178
Molar Refractivity
75.423
Polarizability
29.465658
Polar Surface Area
21.26
Rotatable Bonds
5
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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