Molecule
ID:82244
General Information
Molecular Formula
C₁₈H₁₁ClN₂
Molecular Mass
290.74634
Exact Mass
290.06107604
Charge
0
InChI
InChI=1S/C18H11ClN2/c19-18-16(12-20)15(13-7-3-1-4-8-13)11-17(21-18)14-9-5-2-6-10-14/h1-11H
InChIKey
KLRQTZHBYODVTH-UHFFFAOYSA-N
Canonic Smiles
N#Cc1c(Cl)nc(cc1c1ccccc1)c1ccccc1
Isomeric Smiles
n1c(c(c(cc1c1ccccc1)c1ccccc1)C#N)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
5.1161923
LogD (pH = 7.4)
5.1161923
Log P
5.1161923
Molar Refractivity
85.3892
Polarizability
35.240547
Polar Surface Area
36.68
Rotatable Bonds
2
Lipinski's Rule of Five
false
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...