Molecule

ID:32164

General Information
Structure
MolImage
Molecular Formula
C₇H₉IN₂S
Molecular Mass
280.12923
Exact Mass
279.9531173
Charge
0
InChI
InChI=1S/C7H8N2S.HI/c1-10-7(8)6-4-2-3-5-9-6;/h2-5,8H,1H3;1H
InChIKey
KCGFEYITFAJQNU-UHFFFAOYSA-N
Canonic Smiles
CSC(=N)c1ccccn1.I
Isomeric Smiles
c1(ccccn1)C(=N)SC.I
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.205239
LogD (pH = 7.4)
1.7001102
Log P
1.7121917
Molar Refractivity
54.3221
Polarizability
16.918552
Polar Surface Area
36.74
Rotatable Bonds
2
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