Molecule

ID:85256

General Information
Structure
Molecular Formula
C₁₀H₉ClN₄
Molecular Mass
220.65826
Exact Mass
220.05157399
Charge
0
InChI
InChI=1S/C10H9ClN4/c1-6-4-7-5-8-2-3-9(11)14-15(8)10(7)13-12-6/h4-5H,2-3H2,1H3
InChIKey
UHUWWMCDORAACJ-UHFFFAOYSA-N
Canonic Smiles
Cc1cc2cc3n(c2nn1)N=C(CC3)Cl
Isomeric Smiles
n12c3c(cc(nn3)C)cc1CCC(=N2)Cl
Calculated Properties
JChem
Acid pKa
19.17174
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.48097676
LogD (pH = 7.4)
0.53675795
Log P
0.53751504
Molar Refractivity
61.0614
Polarizability
22.149263
Polar Surface Area
43.07
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
Click here to submit data
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