Molecule

ID:29143

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₁NO₂
Molecular Mass
259.34344
Exact Mass
259.15722892
Charge
0
InChI
InChI=1S/C16H21NO2/c1-12-6-7-13(2)16(9-12)19-14(3)10-17-11-15-5-4-8-18-15/h4-9,14,17H,10-11H2,1-3H3
InChIKey
UWECMXAXWQCTNR-UHFFFAOYSA-N
Canonic Smiles
CC(Oc1cc(C)ccc1C)CNCc1ccco1
Isomeric Smiles
c1(OC(CNCc2occc2)C)c(ccc(c1)C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.1095108
LogD (pH = 7.4)
2.8405302
Log P
3.6793087
Molar Refractivity
76.7503
Polarizability
29.888428
Polar Surface Area
34.4
Rotatable Bonds
6
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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