Molecule

ID:43817

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈ClN₃
Molecular Mass
205.64362
Exact Mass
205.04067495
Charge
0
InChI
InChI=1S/C10H8ClN3/c11-8-6-9(12)14-10(13-8)7-4-2-1-3-5-7/h1-6H,(H2,12,13,14)
InChIKey
WPEJJLBDMKBGII-UHFFFAOYSA-N
Canonic Smiles
Nc1cc(Cl)nc(n1)c1ccccc1
Isomeric Smiles
c1(nc(cc(n1)Cl)N)c1ccccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.0971732
LogD (pH = 7.4)
3.10126
Log P
3.1013124
Molar Refractivity
69.0134
Polarizability
21.88044
Polar Surface Area
51.8
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