Molecule

ID:127011

General Information
Structure
MolImage
Molecular Formula
C₁₂H₃₆F₃N₃S₃
Molecular Mass
375.6245496
Exact Mass
375.20234583
Charge
0
InChI
InChI=1S/3C4H12NS.3FH/c3*1-3-6(5)4-2;;;/h3*3-5H2,1-2H3;3*1H/q3*+1;;;/p-3
InChIKey
OJRFYRBETDFODT-UHFFFAOYSA-K
Canonic Smiles
CC[S+](CC)N.CC[S+](CC)N.CC[S+](CC)N.[F-].[F-].[F-]
Isomeric Smiles
[F-].[F-].[F-].N[S+](CC)CC.CC[S+](N)CC.CC[S+](N)CC
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.7144713
LogD (pH = 7.4)
-0.7144713
Log P
-0.7144713
Molar Refractivity
34.0082
Polarizability
13.059433
Polar Surface Area
26.02
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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