Molecule

ID:61876

General Information
Structure
Molecular Formula
C₁₁H₁₀FNO₂
Molecular Mass
207.2010032
Exact Mass
207.06955679
Charge
0
InChI
InChI=1S/C11H10FNO2/c12-10-3-2-8(6-9(10)7-13)11-14-4-1-5-15-11/h2-3,6,11H,1,4-5H2
InChIKey
GSWHWJOQQXLUGU-UHFFFAOYSA-N
Canonic Smiles
N#Cc1cc(ccc1F)C1OCCCO1
Isomeric Smiles
c1(C#N)cc(C2OCCCO2)ccc1F
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.015158
LogD (pH = 7.4)
2.015158
Log P
2.015158
Molar Refractivity
52.2406
Polarizability
19.88814
Polar Surface Area
42.25
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