Molecule

ID:110792

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₇NO₆
Molecular Mass
247.24508
Exact Mass
247.10558727
Charge
0
InChI
InChI=1S/C10H17NO6/c1-10(11(14)15,6-4-8(12)16-2)7-5-9(13)17-3/h4-7H2,1-3H3
InChIKey
WHHKSLHNPYTRMH-UHFFFAOYSA-N
Canonic Smiles
COC(=O)CCC([N+](=O)[O-])(CCC(=O)OC)C
Isomeric Smiles
COC(=O)CCC(C)(CCC(=O)OC)[N+](=O)[O-]
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
0.65898097
LogD (pH = 7.4)
0.65898097
Log P
0.65898097
Molar Refractivity
57.5122
Polarizability
22.780203
Polar Surface Area
98.42
Rotatable Bonds
9
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
References
Bioactivity
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