Molecule

ID:6520

General Information
Structure
MolImage
Molecular Formula
C₄H₄F₇N
Molecular Mass
199.0700824
Exact Mass
199.02319667
Charge
0
InChI
InChI=1S/C4H4F7N/c5-2(6,1-12)3(7,8)4(9,10)11/h1,12H2
InChIKey
WBGBQSRNXPVFDB-UHFFFAOYSA-N
Canonic Smiles
NCC(C(C(F)(F)F)(F)F)(F)F
Isomeric Smiles
C(N)C(C(C(F)(F)F)(F)F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.124531806
LogD (pH = 7.4)
1.4405493
Log P
1.7309228
Molar Refractivity
24.7049
Polarizability
9.44986
Polar Surface Area
26.02
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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