Molecule

ID:95381

General Information
Structure
MolImage
Molecular Formula
C₁₄H₉Cl₃FN₃O₂
Molecular Mass
376.5975632
Exact Mass
374.9744378
Charge
0
InChI
InChI=1S/C14H9Cl3FN3O2/c15-11(16)12(17)21-14(22)20-10-2-1-7-19-13(10)23-9-5-3-8(18)4-6-9/h1-7H,(H2,20,21,22)
InChIKey
KYVVTQGZJBWKME-UHFFFAOYSA-N
Canonic Smiles
O=C(Nc1cccnc1Oc1ccc(cc1)F)NC(=C(Cl)Cl)Cl
Isomeric Smiles
N(C(=C(Cl)Cl)Cl)C(=O)Nc1c(nccc1)Oc1ccc(cc1)F
Calculated Properties
JChem
Acid pKa
10.734853
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
4.191244
LogD (pH = 7.4)
4.191085
Log P
4.191275
Molar Refractivity
108.0502
Polarizability
32.826984
Polar Surface Area
63.25
Rotatable Bonds
4
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