Molecule

ID:119863

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₅NO₃
Molecular Mass
279.3746
Exact Mass
279.18344367
Charge
0
InChI
InChI=1S/C16H25NO3/c1-16(2)10-13(7-8-20-16)17-11-12-5-6-14(18-3)15(9-12)19-4/h5-6,9,13,17H,7-8,10-11H2,1-4H3
InChIKey
BVUQRLUQFAYYFL-UHFFFAOYSA-N
Canonic Smiles
COc1cc(CNC2CCOC(C2)(C)C)ccc1OC
Isomeric Smiles
c1(c(ccc(c1)CNC1CC(OCC1)(C)C)OC)OC
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.317856
LogD (pH = 7.4)
-0.3440432
Log P
1.8745899
Molar Refractivity
79.7649
Polarizability
31.58193
Polar Surface Area
39.72
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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