Molecule
ID:120552
General Information
Molecular Formula
C₁₅H₁₂ClN₃
Molecular Mass
269.72888
Exact Mass
269.07197508
Charge
0
InChI
InChI=1S/C15H12ClN3/c1-3-10-9(2)11(8-17)15-18-12-6-4-5-7-13(12)19(15)14(10)16/h4-7H,3H2,1-2H3
InChIKey
LPNVNULUGUFZGW-UHFFFAOYSA-N
Canonic Smiles
N#Cc1c(C)c(CC)c(n2c1nc1c2cccc1)Cl
Isomeric Smiles
n12c(c(c(c(c1Cl)CC)C)C#N)nc1c2cccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.7424183
LogD (pH = 7.4)
3.8099027
Log P
3.8108406
Molar Refractivity
77.103
Polarizability
29.894178
Polar Surface Area
41.09
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
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
Loading...
Bioactivity
Loading...