Molecule

ID:79281

General Information
Structure
Molecular Formula
C₁₀H₉ClN₄O
Molecular Mass
236.65766
Exact Mass
236.04648861
Charge
0
InChI
InChI=1S/C10H9ClN4O/c11-9-8(14-12)6-13-15(10(9)16)7-4-2-1-3-5-7/h1-6,14H,12H2
InChIKey
IQWBJSGIFJQBLQ-UHFFFAOYSA-N
Canonic Smiles
NNc1cnn(c(=O)c1Cl)c1ccccc1
Isomeric Smiles
n1(c2ccccc2)c(=O)c(c(NN)cn1)Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
0.85942644
LogD (pH = 7.4)
0.91995776
Log P
0.92078674
Molar Refractivity
74.0283
Polarizability
23.086033
Polar Surface Area
70.72
Rotatable Bonds
2
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