Molecule

ID:39984

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₃Cl₂F₃N₄S
Molecular Mass
397.2460296
Exact Mass
396.01900746
Charge
0
InChI
InChI=1S/C14H13Cl2F3N4S/c15-6-10-8-24-13(21-10)23-3-1-22(2-4-23)12-11(16)5-9(7-20-12)14(17,18)19/h5,7-8H,1-4,6H2
InChIKey
GKWGVZNBWRMUBE-UHFFFAOYSA-N
Canonic Smiles
ClCc1csc(n1)N1CCN(CC1)c1ncc(cc1Cl)C(F)(F)F
Isomeric Smiles
c1(nc(cs1)CCl)N1CCN(c2ncc(cc2Cl)C(F)(F)F)CC1
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
4.685225
LogD (pH = 7.4)
4.6899047
Log P
4.6899643
Molar Refractivity
89.9967
Polarizability
32.68379
Polar Surface Area
32.26
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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