Molecule

ID:24385

General Information
Structure
MolImage
Molecular Formula
C₉H₁₃NO₃
Molecular Mass
183.20442
Exact Mass
183.08954328
Charge
0
InChI
InChI=1S/C9H13NO3/c1-12-9(11)4-5-10-7-8-3-2-6-13-8/h2-3,6,10H,4-5,7H2,1H3
InChIKey
FXFIQQVFTVFWOS-UHFFFAOYSA-N
Canonic Smiles
COC(=O)CCNCc1ccco1
Isomeric Smiles
C(=O)(CCNCc1occc1)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.8246725
LogD (pH = 7.4)
-0.110158235
Log P
0.4527314
Molar Refractivity
47.25
Polarizability
18.71605
Polar Surface Area
51.47
Rotatable Bonds
6
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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