Molecule

ID:44072

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀ClN₃O₂
Molecular Mass
251.669
Exact Mass
251.04615426
Charge
0
InChI
InChI=1S/C11H10ClN3O2/c1-7-10(11(16)17)13-14-15(7)6-8-2-4-9(12)5-3-8/h2-5H,6H2,1H3,(H,16,17)
InChIKey
LCBARIFHCDTSJH-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1nnn(c1C)Cc1ccc(cc1)Cl
Isomeric Smiles
c1(nnn(c1C)Cc1ccc(Cl)cc1)C(=O)O
Calculated Properties
JChem
Acid pKa
2.854853
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.0019847057
LogD (pH = 7.4)
-0.89783424
Log P
2.5917423
Molar Refractivity
74.7697
Polarizability
23.672506
Polar Surface Area
68.01
Rotatable Bonds
3
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