Molecule

ID:62786

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₇NO₃
Molecular Mass
199.24688
Exact Mass
199.12084341
Charge
0
InChI
InChI=1S/C10H17NO3/c12-10(13)9-7-14-6-5-11(9)8-3-1-2-4-8/h8-9H,1-7H2,(H,12,13)
InChIKey
YBRZMXCDPKKBDG-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C1COCCN1C1CCCC1
Isomeric Smiles
N1(C(C(=O)O)COCC1)C1CCCC1
Calculated Properties
JChem
Acid pKa
1.634128
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.7081133
LogD (pH = 7.4)
-1.7206604
Log P
-1.7081077
Molar Refractivity
51.3057
Polarizability
20.458927
Polar Surface Area
49.77
Rotatable Bonds
2
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
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Molecule Details
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References
Bioactivity
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