Molecule

ID:121200

General Information
Structure
MolImage
Molecular Formula
C₈H₇ClN₄O₂
Molecular Mass
226.61978
Exact Mass
226.02575316
Charge
0
InChI
InChI=1S/C8H7ClN4O2/c1-15-8(14)4-7-11-10-6-3-2-5(9)12-13(6)7/h2-3H,4H2,1H3
InChIKey
BVLMRSBIVKFCQV-UHFFFAOYSA-N
Canonic Smiles
COC(=O)Cc1nnc2n1nc(Cl)cc2
Isomeric Smiles
n12c(nnc1ccc(n2)Cl)CC(=O)OC
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
0.6779156
LogD (pH = 7.4)
0.6779299
Log P
0.67793006
Molar Refractivity
65.4098
Polarizability
19.92873
Polar Surface Area
69.38
Rotatable Bonds
3
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