Molecule

ID:65697

General Information
Structure
MolImage
Molecular Formula
C₈H₇IN₂O
Molecular Mass
274.05845
Exact Mass
273.96031085
Charge
0
InChI
InChI=1S/C8H7IN2O/c1-12-6-2-4-11-5-3-10-8(11)7(6)9/h2-5H,1H3
InChIKey
UAGXMASIVSLVMI-UHFFFAOYSA-N
Canonic Smiles
COc1ccn2c(c1I)ncc2
Isomeric Smiles
c1cn2c(c(c1OC)I)ncc2
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.2512945
LogD (pH = 7.4)
1.5254745
Log P
1.5308226
Molar Refractivity
55.7621
Polarizability
21.073841
Polar Surface Area
26.53
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