Molecule

ID:123993

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₀FNO₃
Molecular Mass
235.2111032
Exact Mass
235.06447141
Charge
0
InChI
InChI=1S/C12H10FNO3/c1-17-12(16)7-14-5-4-11(15)9-6-8(13)2-3-10(9)14/h2-6H,7H2,1H3
InChIKey
KPTBWEFNCOZCNM-UHFFFAOYSA-N
Canonic Smiles
COC(=O)Cn1ccc(=O)c2c1ccc(c2)F
Isomeric Smiles
n1(c2c(c(=O)cc1)cc(cc2)F)CC(=O)OC
Calculated Properties
JChem
Acid pKa
16.442888
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.5524416
LogD (pH = 7.4)
1.5524416
Log P
1.5524416
Molar Refractivity
60.3236
Polarizability
22.107805
Polar Surface Area
46.61
Rotatable Bonds
3
Lipinski's Rule of Five
true
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
暂无数据
点击上传数据
References
Bioactivity
Navigation