Molecule

ID:3755

General Information
Structure
MolImage
Molecular Formula
C₄H₅FN₂O₂
Molecular Mass
132.0931032
Exact Mass
132.03350563
Charge
0
InChI
InChI=1S/C4H5FN2O2/c5-2-1-6-4(9)7-3(2)8/h1,3,8H,(H2,6,7,9)/t3-/m1/s1
InChIKey
PRVUBDAKZJCBTI-GSVOUGTGSA-N
Canonic Smiles
O=C1NC=C([C@H](N1)O)F
Isomeric Smiles
O[C@H]1NC(=O)NC=C1F
Calculated Properties
JChem
Acid pKa
9.251105
H Acceptors
2
H Donor
3
LogD (pH = 5.5)
-1.3762382
LogD (pH = 7.4)
-1.3815508
Log P
-1.37617
Molar Refractivity
26.9728
Polarizability
10.102639
Polar Surface Area
61.36
Rotatable Bonds
0
Lipinski's Rule of Five
true
ALOGPS 2.1
Log P
-1.28
LOG S
-0.56
Solubility (Water)
3.61e+01 g/l
Data Source
Names and Identifiers
Registration numbers
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
References
Bioactivity
Navigation