Molecule

ID:101644

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀ClN₃O
Molecular Mass
223.6589
Exact Mass
223.05123964
Charge
0
InChI
InChI=1S/C10H10ClN3O/c1-6(2)14-9-4-3-7(10(11)15)5-8(9)12-13-14/h3-6H,1-2H3
InChIKey
ZNJHENRZPYCHJO-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)c1ccc2c(c1)nnn2C(C)C
Isomeric Smiles
n1n(c2c(n1)cc(C(=O)Cl)cc2)C(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.3892534
LogD (pH = 7.4)
2.3892539
Log P
2.3892539
Molar Refractivity
69.5562
Polarizability
22.967997
Polar Surface Area
47.78
Rotatable Bonds
2
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