Molecule

ID:17240

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₃NO₃
Molecular Mass
195.21512
Exact Mass
195.08954328
Charge
0
InChI
InChI=1S/C10H13NO3/c12-8-10-2-1-9(14-10)7-11-3-5-13-6-4-11/h1-2,8H,3-7H2
InChIKey
ZQILSGYYJOBENS-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(o1)CN1CCOCC1
Isomeric Smiles
c1(CN2CCOCC2)oc(cc1)C=O
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.16001683
LogD (pH = 7.4)
0.3851143
Log P
0.38889223
Molar Refractivity
52.5276
Polarizability
19.819685
Polar Surface Area
42.68
Rotatable Bonds
3
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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