Molecule

ID:28366

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄F₃N₃
Molecular Mass
233.2334696
Exact Mass
233.11398212
Charge
0
InChI
InChI=1S/C10H14F3N3/c11-10(12,13)9-6-8(7-2-3-7)16(15-9)5-1-4-14/h6-7H,1-5,14H2
InChIKey
YKUPEVVRIXKWBC-UHFFFAOYSA-N
Canonic Smiles
NCCCn1nc(cc1C1CC1)C(F)(F)F
Isomeric Smiles
c1(nn(c(c1)C1CC1)CCCN)C(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.4747632
LogD (pH = 7.4)
-1.1137798
Log P
1.5511112
Molar Refractivity
65.7214
Polarizability
20.00857
Polar Surface Area
43.84
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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