Molecule

ID:96016

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₀FNO
Molecular Mass
227.2337032
Exact Mass
227.07464217
Charge
0
InChI
InChI=1S/C14H10FNO/c15-13-6-3-11(4-7-13)5-8-14(17)12-2-1-9-16-10-12/h1-10H
InChIKey
KXDCGTMKWLNPTQ-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)/C=C/C(=O)c1cccnc1
Isomeric Smiles
n1cc(ccc1)C(=O)/C=C/c1ccc(cc1)F
Calculated Properties
JChem
Acid pKa
16.403248
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.8082128
LogD (pH = 7.4)
2.815264
Log P
2.8153548
Molar Refractivity
64.9365
Polarizability
24.080566
Polar Surface Area
29.96
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