Molecule

ID:58185

General Information
Structure
MolImage
Molecular Formula
C₅H₇IN₂
Molecular Mass
222.02695
Exact Mass
221.96539623
Charge
0
InChI
InChI=1S/C5H7IN2/c1-2-8-4-5(6)3-7-8/h3-4H,2H2,1H3
InChIKey
XWZIDZDMNYAEOP-UHFFFAOYSA-N
Canonic Smiles
CCn1cc(cn1)I
Isomeric Smiles
n1(cc(cn1)I)CC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.6868321
LogD (pH = 7.4)
1.6868579
Log P
1.6868583
Molar Refractivity
53.0725
Polarizability
16.039232
Polar Surface Area
17.82
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