Molecule

ID:77531

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇ClN₂O
Molecular Mass
206.62838
Exact Mass
206.02469053
Charge
0
InChI
InChI=1S/C10H7ClN2O/c11-10-6-5-9(12-13-10)7-1-3-8(14)4-2-7/h1-6,14H
InChIKey
JSUYLPCPJZSZSI-UHFFFAOYSA-N
Canonic Smiles
Oc1ccc(cc1)c1ccc(nn1)Cl
Isomeric Smiles
n1nc(ccc1c1ccc(cc1)O)Cl
Calculated Properties
JChem
Acid pKa
9.439987
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.3294828
LogD (pH = 7.4)
2.3256178
Log P
2.3295357
Molar Refractivity
56.3756
Polarizability
22.03726
Polar Surface Area
46.01
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