Molecule

ID:52332

General Information
Structure
MolImage
Molecular Formula
C₈H₉ClN₂O
Molecular Mass
184.62286
Exact Mass
184.0403406
Charge
0
InChI
InChI=1S/C8H9ClN2O/c1-5-4-6(9)2-3-7(5)8(12)11-10/h2-4H,10H2,1H3,(H,11,12)
InChIKey
KJXUWMCNRKHLCR-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)c1ccc(cc1C)Cl
Isomeric Smiles
C(=O)(c1c(cc(cc1)Cl)C)NN
Calculated Properties
JChem
Acid pKa
14.520122
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.6439618
LogD (pH = 7.4)
1.6448649
Log P
1.6448765
Molar Refractivity
49.4665
Polarizability
18.247852
Polar Surface Area
55.12
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