Molecule

ID:30518

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₅NO₃
Molecular Mass
197.231
Exact Mass
197.10519335
Charge
0
InChI
InChI=1S/C10H15NO3/c1-12-8-5-4-7(6-11)9(13-2)10(8)14-3/h4-5H,6,11H2,1-3H3
InChIKey
QWZMCOACPDTUIO-UHFFFAOYSA-N
Canonic Smiles
NCc1ccc(c(c1OC)OC)OC
Isomeric Smiles
c1(c(c(ccc1OC)CN)OC)OC
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-2.2525606
LogD (pH = 7.4)
-0.8765526
Log P
0.62600046
Molar Refractivity
53.921
Polarizability
21.250834
Polar Surface Area
53.71
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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