Molecule

ID:7220

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀ClN
Molecular Mass
155.6247
Exact Mass
155.05017701
Charge
0
InChI
InChI=1S/C8H10ClN/c1-6-7(5-10)3-2-4-8(6)9/h2-4H,5,10H2,1H3
InChIKey
LESUPVCBJDWKJH-UHFFFAOYSA-N
Canonic Smiles
NCc1cccc(c1C)Cl
Isomeric Smiles
c1cc(c(c(c1)CN)C)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.7606188
LogD (pH = 7.4)
0.25625437
Log P
2.2164803
Molar Refractivity
44.3774
Polarizability
17.317293
Polar Surface Area
26.02
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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