Molecule

ID:83774

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₉IO₄
Molecular Mass
354.18133
Exact Mass
354.03280709
Charge
0
InChI
InChI=1S/C12H19IO4/c1-10(2)12(17-10)5-7-9(14-8(12)6-13)16-11(3,4)15-7/h7-9H,5-6H2,1-4H3/t7-,8+,9-,12+/m1/s1
InChIKey
BNDNCGMZYXPWLT-SREGZZRCSA-N
Canonic Smiles
IC[C@@H]1O[C@@H]2OC(O[C@@H]2C[C@@]21OC2(C)C)(C)C
Isomeric Smiles
O1[C@@]2(C1(C)C)C[C@H]1OC(C)(C)O[C@H]1O[C@H]2CI
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.3671594
LogD (pH = 7.4)
2.3671594
Log P
2.3671594
Molar Refractivity
70.1993
Polarizability
28.604841
Polar Surface Area
40.22
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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