Molecule

ID:54151

General Information
Structure
MolImage
Molecular Formula
C₇H₇FN₂O
Molecular Mass
154.1416832
Exact Mass
154.05424107
Charge
0
InChI
InChI=1S/C7H7FN2O/c8-6-3-1-2-5(4-6)7(9)10-11/h1-4,11H,(H2,9,10)
InChIKey
WPJZGPLKRBIDGD-UHFFFAOYSA-N
Canonic Smiles
O/N=C(/c1cccc(c1)F)\N
Isomeric Smiles
c1(cccc(c1)F)/C(=N/O)/N
Calculated Properties
JChem
Acid pKa
9.398658
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.99826854
LogD (pH = 7.4)
1.0282549
Log P
1.0332345
Molar Refractivity
39.2966
Polarizability
14.427853
Polar Surface Area
58.61
Rotatable Bonds
1
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