Molecule

ID:100142

General Information
Structure
MolImage
Molecular Formula
C₆H₅F₂NO
Molecular Mass
145.1068064
Exact Mass
145.03392023
Charge
0
InChI
InChI=1S/C6H5F2NO/c7-3-2-6(10)4(8)1-5(3)9/h1-2,10H,9H2
InChIKey
RPNPSBJBVUOFBH-UHFFFAOYSA-N
Canonic Smiles
Nc1cc(F)c(cc1F)O
Isomeric Smiles
Oc1c(cc(c(c1)F)N)F
Calculated Properties
JChem
Acid pKa
8.3979645
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.125266
LogD (pH = 7.4)
1.0848554
Log P
1.1261584
Molar Refractivity
33.1721
Polarizability
11.621527
Polar Surface Area
46.25
Rotatable Bonds
0
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