Molecule

ID:113207

General Information
Structure
MolImage
Molecular Formula
C₉H₁₀FN₃O₂
Molecular Mass
211.1930032
Exact Mass
211.0757048
Charge
0
InChI
InChI=1S/C9H10FN3O2/c10-7-3-1-2-6(4-7)9(15)12-5-8(14)13-11/h1-4H,5,11H2,(H,12,15)(H,13,14)
InChIKey
IJNQVWYRRDRZJB-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)CNC(=O)c1cccc(c1)F
Isomeric Smiles
C(=O)(NCC(=O)NN)c1cc(F)ccc1
Calculated Properties
JChem
Acid pKa
11.422666
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
-0.43612126
LogD (pH = 7.4)
-0.43522
Log P
-0.4351709
Molar Refractivity
52.6404
Polarizability
19.268265
Polar Surface Area
84.22
Rotatable Bonds
3
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