Molecule

ID:54970

General Information
Structure
MolImage
Molecular Formula
C₈H₉ClN₂O
Molecular Mass
184.62286
Exact Mass
184.0403406
Charge
0
InChI
InChI=1S/C8H9ClN2O/c1-11-7-3-2-5(9)4-6(7)8(10)12/h2-4,11H,1H3,(H2,10,12)
InChIKey
ZUYIIDOKGIRIKI-UHFFFAOYSA-N
Canonic Smiles
CNc1ccc(cc1C(=O)N)Cl
Isomeric Smiles
c1(c(ccc(c1)Cl)NC)C(=O)N
Calculated Properties
JChem
Acid pKa
14.441227
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.550285
LogD (pH = 7.4)
1.5507036
Log P
1.5507089
Molar Refractivity
50.135
Polarizability
18.035006
Polar Surface Area
55.12
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