Molecule

ID:7938

General Information
Structure
MolImage
Molecular Formula
C₇H₈ClIN₂
Molecular Mass
282.50929
Exact Mass
281.94207395
Charge
0
InChI
InChI=1S/C7H7ClN2.HI/c8-6-3-1-5(2-4-6)7(9)10;/h1-4H,(H3,9,10);1H
InChIKey
YMEVGWRZEYGNJO-UHFFFAOYSA-N
Canonic Smiles
NC(=N)c1ccc(cc1)Cl.I
Isomeric Smiles
c1c(ccc(c1)C(=N)N)Cl.I
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-0.917544
LogD (pH = 7.4)
-0.9054954
Log P
1.497759
Molar Refractivity
52.5353
Polarizability
15.886346
Polar Surface Area
49.87
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