Molecule

ID:24386

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₅NO₃
Molecular Mass
197.231
Exact Mass
197.10519335
Charge
0
InChI
InChI=1S/C10H15NO3/c1-2-13-10(12)5-6-11-8-9-4-3-7-14-9/h3-4,7,11H,2,5-6,8H2,1H3
InChIKey
CUWYCUOEHDOVAJ-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)CCNCc1ccco1
Isomeric Smiles
C(=O)(CCNCc1occc1)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.4678576
LogD (pH = 7.4)
0.24665534
Log P
0.8095393
Molar Refractivity
51.9986
Polarizability
20.549105
Polar Surface Area
51.47
Rotatable Bonds
7
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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