Molecule

ID:40367

General Information
Structure
Molecular Formula
C₈H₇ClN₄O
Molecular Mass
210.62038
Exact Mass
210.03083854
Charge
0
InChI
InChI=1S/C8H7ClN4O/c9-5-1-2-7-11-6(8(14)12-10)4-13(7)3-5/h1-4H,10H2,(H,12,14)
InChIKey
IUCNOGHXJSSDJV-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)c1cn2c(n1)ccc(c2)Cl
Isomeric Smiles
c1(nc2n(c1)cc(cc2)Cl)C(=O)NN
Calculated Properties
JChem
Acid pKa
14.140138
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.29912838
LogD (pH = 7.4)
0.3035522
Log P
0.303609
Molar Refractivity
53.9317
Polarizability
19.516922
Polar Surface Area
72.42
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