Molecule

ID:133449

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₈INO₂
Molecular Mass
371.21339
Exact Mass
371.03822682
Charge
0
InChI
InChI=1S/C15H18INO2/c1-19-15(18)14-12(8-11-6-7-13(14)17-11)9-2-4-10(16)5-3-9/h2-5,11-14,17H,6-8H2,1H3/t11-,12+,13+,14-/m0/s1
InChIKey
IBOZZWGMZPMXBO-DGAVXFQQSA-N
Canonic Smiles
COC(=O)[C@H]1[C@H]2CC[C@H](N2)C[C@@H]1c1ccc(cc1)I
Isomeric Smiles
COC(=O)[C@H]1[C@H]2CC[C@H](N2)C[C@@H]1c1ccc(cc1)I
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.15936704
LogD (pH = 7.4)
0.5781472
Log P
3.057133
Molar Refractivity
82.5779
Polarizability
32.815704
Polar Surface Area
38.33
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
References
Bioactivity
Navigation