Molecule

ID:96100

General Information
Structure
MolImage
Molecular Formula
C₁₄H₇Cl₂F₃N₂O₂
Molecular Mass
363.1187896
Exact Mass
361.98366749
Charge
0
InChI
InChI=1S/C14H7Cl2F3N2O2/c15-11-5-8(6-12(16)21-11)7-20-23-13(22)9-3-1-2-4-10(9)14(17,18)19/h1-7H
InChIKey
FEEXRNSPVKXXCJ-UHFFFAOYSA-N
Canonic Smiles
Clc1cc(/C=N/OC(=O)c2ccccc2C(F)(F)F)cc(n1)Cl
Isomeric Smiles
n1c(cc(cc1Cl)/C=N/OC(=O)c1c(cccc1)C(F)(F)F)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
5.2009144
LogD (pH = 7.4)
5.200915
Log P
5.2009153
Molar Refractivity
81.8347
Polarizability
29.404102
Polar Surface Area
51.55
Rotatable Bonds
5
Lipinski's Rule of Five
false
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