Molecule

ID:80714

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈INO
Molecular Mass
285.08109
Exact Mass
284.96506188
Charge
0
InChI
InChI=1S/C10H8INO/c1-7-9(11)10(13-12-7)8-5-3-2-4-6-8/h2-6H,1H3
InChIKey
RLZGZJOMCXKYIW-UHFFFAOYSA-N
Canonic Smiles
Cc1noc(c1I)c1ccccc1
Isomeric Smiles
o1c(c(c(n1)C)I)c1ccccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.9653249
LogD (pH = 7.4)
2.9653323
Log P
2.9653323
Molar Refractivity
60.4677
Polarizability
24.092552
Polar Surface Area
26.03
Rotatable Bonds
1
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