Molecule

ID:80409

General Information
Structure
Molecular Formula
C₁₄H₂₄INO₄
Molecular Mass
397.24913
Exact Mass
397.07500625
Charge
0
InChI
InChI=1S/C14H24INO4/c1-5-19-11(17)14(10-15)6-8-16(9-7-14)12(18)20-13(2,3)4/h5-10H2,1-4H3
InChIKey
FKZDQBQVWKAEHH-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C1(CI)CCN(CC1)C(=O)OC(C)(C)C
Isomeric Smiles
N1(CCC(CC1)(C(=O)OCC)CI)C(=O)OC(C)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.9117353
LogD (pH = 7.4)
2.9117353
Log P
2.9117353
Molar Refractivity
85.147
Polarizability
33.577644
Polar Surface Area
55.84
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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