Molecule

ID:44811

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₅NO₃
Molecular Mass
245.2738
Exact Mass
245.10519335
Charge
0
InChI
InChI=1S/C14H15NO3/c1-17-12-5-3-4-11(14(12)18-2)13(16)10-6-8-15-9-7-10/h3-9,13,16H,1-2H3
InChIKey
IRFMPRSXHIYMRM-UHFFFAOYSA-N
Canonic Smiles
COc1c(OC)cccc1C(c1ccncc1)O
Isomeric Smiles
c1(c(c(OC)ccc1)OC)C(c1ccncc1)O
Calculated Properties
JChem
Acid pKa
13.307137
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.3559254
LogD (pH = 7.4)
1.4556444
Log P
1.4571213
Molar Refractivity
67.9262
Polarizability
26.507467
Polar Surface Area
51.58
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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