Molecule

ID:65640

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀INO₃
Molecular Mass
295.07437
Exact Mass
294.97054119
Charge
0
InChI
InChI=1S/C8H10INO3/c1-11-6-4-5(9)7(12-2)10-8(6)13-3/h4H,1-3H3
InChIKey
CSQOXTJFAZCQAV-UHFFFAOYSA-N
Canonic Smiles
COc1nc(OC)c(cc1OC)I
Isomeric Smiles
c1(c(nc(c(c1)OC)OC)OC)I
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.4004185
LogD (pH = 7.4)
2.4004192
Log P
2.4004192
Molar Refractivity
57.2802
Polarizability
22.374521
Polar Surface Area
40.58
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
暂无数据
点击上传数据
References
Bioactivity
Navigation