Molecule

ID:89377

General Information
Structure
MolImage
Molecular Formula
C₉H₁₃ClN₂
Molecular Mass
184.66592
Exact Mass
184.07672611
Charge
0
InChI
InChI=1S/C9H13ClN2/c1-6(2)12-9-4-3-7(10)5-8(9)11/h3-6,12H,11H2,1-2H3
InChIKey
JZZYUYHBBMUCEY-UHFFFAOYSA-N
Canonic Smiles
CC(Nc1ccc(cc1N)Cl)C
Isomeric Smiles
Nc1c(ccc(c1)Cl)NC(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.8979903
LogD (pH = 7.4)
1.993166
Log P
1.9945257
Molar Refractivity
54.9244
Polarizability
19.983181
Polar Surface Area
38.05
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