Molecule
ID:124107
General Information
Molecular Formula
C₁₄H₁₀Cl₂N₂
Molecular Mass
277.1486
Exact Mass
276.02210369
Charge
0
InChI
InChI=1S/C14H10Cl2N2/c15-13-14(16)18(9-17-13)8-11-6-3-5-10-4-1-2-7-12(10)11/h1-7,9H,8H2
InChIKey
CSIMWSMLPIJVHA-UHFFFAOYSA-N
Canonic Smiles
Clc1ncn(c1Cl)Cc1cccc2c1cccc2
Isomeric Smiles
n1(c(c(nc1)Cl)Cl)Cc1c2c(ccc1)cccc2
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.934174
LogD (pH = 7.4)
3.93566
Log P
3.935679
Molar Refractivity
75.6443
Polarizability
29.865396
Polar Surface Area
17.82
Rotatable Bonds
2
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...