Molecule

ID:42519

General Information
Structure
MolImage
Molecular Formula
C₉H₁₇NO₃
Molecular Mass
187.23618
Exact Mass
187.12084341
Charge
0
InChI
InChI=1S/C9H17NO3/c1-12-9(13-2)8(11)10-6-4-3-5-7-10/h9H,3-7H2,1-2H3
InChIKey
WQAKEXCQFZNEFH-UHFFFAOYSA-N
Canonic Smiles
COC(C(=O)N1CCCCC1)OC
Isomeric Smiles
C(=O)(N1CCCCC1)C(OC)OC
Calculated Properties
JChem
Acid pKa
14.829386
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.4476952
LogD (pH = 7.4)
0.4476952
Log P
0.4476952
Molar Refractivity
48.8043
Polarizability
19.212313
Polar Surface Area
38.77
Rotatable Bonds
3
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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