Molecule
ID:52329
General Information
Molecular Formula
C₈H₉ClN₂O
Molecular Mass
184.62286
Exact Mass
184.0403406
Charge
0
InChI
InChI=1S/C8H9ClN2O/c1-5-3-2-4-6(7(5)9)8(12)11-10/h2-4H,10H2,1H3,(H,11,12)
InChIKey
OIMUYOSYWNDADC-UHFFFAOYSA-N
Canonic Smiles
Cc1cccc(c1Cl)C(=O)NN
Isomeric Smiles
C(=O)(c1c(c(ccc1)C)Cl)NN
Calculated Properties
JChem
Acid pKa
13.126487
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.6441067
LogD (pH = 7.4)
1.6448661
Log P
1.6448765
Molar Refractivity
49.4665
Polarizability
18.260283
Polar Surface Area
55.12
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
Loading...
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
Loading...
Bioactivity
Loading...