Molecule

ID:101530

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₅F₃N₄S
Molecular Mass
280.3131096
Exact Mass
280.09695216
Charge
0
InChI
InChI=1S/C10H15F3N4S/c1-14-6-7-2-4-17(5-3-7)9-16-15-8(18-9)10(11,12)13/h7,14H,2-6H2,1H3
InChIKey
VBNNNNMGQWWIBN-UHFFFAOYSA-N
Canonic Smiles
CNCC1CCN(CC1)c1nnc(s1)C(F)(F)F
Isomeric Smiles
c1(sc(nn1)N1CCC(CC1)CNC)C(F)(F)F
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.3365136
LogD (pH = 7.4)
-1.0514843
Log P
1.900338
Molar Refractivity
65.7164
Polarizability
23.393024
Polar Surface Area
41.05
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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