Molecule

ID:73601

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₉NO₃
Molecular Mass
237.29486
Exact Mass
237.13649347
Charge
0
InChI
InChI=1S/C13H19NO3/c1-15-11-7-9(10-5-4-6-14-10)8-12(16-2)13(11)17-3/h7-8,10,14H,4-6H2,1-3H3
InChIKey
QLDDZYNMMJOGJY-UHFFFAOYSA-N
Canonic Smiles
COc1cc(cc(c1OC)OC)C1CCCN1
Isomeric Smiles
N1C(c2cc(c(c(c2)OC)OC)OC)CCC1
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.7054482
LogD (pH = 7.4)
-1.1989791
Log P
1.5241454
Molar Refractivity
65.9068
Polarizability
26.04314
Polar Surface Area
39.72
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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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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