Molecule

ID:15230

General Information
Structure
Molecular Formula
C₁₅H₁₉NO₅
Molecular Mass
293.31506
Exact Mass
293.12632271
Charge
0
InChI
InChI=1S/C15H19NO5/c1-20-12-7-10-5-6-16(14(17)3-4-15(18)19)9-11(10)8-13(12)21-2/h7-8H,3-6,9H2,1-2H3,(H,18,19)
InChIKey
RVYJSJDCZIDPMY-UHFFFAOYSA-N
Canonic Smiles
COc1cc2CN(CCc2cc1OC)C(=O)CCC(=O)O
Isomeric Smiles
c12c(cc(c(c2)OC)OC)CCN(C1)C(=O)CCC(=O)O
Calculated Properties
Provided by Enamine
CLogP
0.63
H Donor
1
Polar Surface Area
76.07
Rotatable Bonds
5
JChem
Log P
0.69
LogD (pH = 7.4)
-2.56
LogD (pH = 5.5)
-0.98
Rotatable Bonds
5
H Donor
1
H Acceptors
5
Polar Surface Area
76.07
Molar Refractivity
76
Polarizability
30.66
Acid pKa
3.83
Lipinski's Rule of Five
true
LOG S
-1.60
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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