Molecule

ID:37607

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₇NO₃
Molecular Mass
199.24688
Exact Mass
199.12084341
Charge
0
InChI
InChI=1S/C10H17NO3/c1-2-14-10(13)9(12)11-8-6-4-3-5-7-8/h8H,2-7H2,1H3,(H,11,12)
InChIKey
ZJDVUWCDXGSPFH-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C(=O)NC1CCCCC1
Isomeric Smiles
C(=O)(C(=O)OCC)NC1CCCCC1
Calculated Properties
JChem
Acid pKa
12.419263
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.6882877
LogD (pH = 7.4)
1.688284
Log P
1.6882877
Molar Refractivity
51.6894
Polarizability
20.43282
Polar Surface Area
55.4
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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