Molecule
ID:94375
General Information
Molecular Formula
C₆H₄Cl₂FN
Molecular Mass
180.0070632
Exact Mass
178.97048271
Charge
0
InChI
InChI=1S/C6H4Cl2FN/c7-3-1-2-4(10)5(8)6(3)9/h1-2H,10H2
InChIKey
VEBWZLHNQCQDSY-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1F)Cl)N
Isomeric Smiles
Nc1c(c(c(cc1)Cl)F)Cl
Calculated Properties
JChem
Acid pKa
19.911276
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.4950738
LogD (pH = 7.4)
2.4951108
Log P
2.4951112
Molar Refractivity
40.5844
Polarizability
15.078512
Polar Surface Area
26.02
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
Loading...
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...