Molecule

ID:57452

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₈F₃N₃
Molecular Mass
345.3615296
Exact Mass
345.14528225
Charge
0
InChI
InChI=1S/C19H18F3N3/c1-11-12-5-3-4-6-13(12)23-18-14(11)15(20)16(21)19(17(18)22)25-9-7-24(2)8-10-25/h3-6H,7-10H2,1-2H3
InChIKey
HUWSKUKVSSSWGK-UHFFFAOYSA-N
Canonic Smiles
CN1CCN(CC1)c1c(F)c(F)c2c(c1F)nc1c(c2C)cccc1
Isomeric Smiles
c1ccc2c(c1)c(c1c(n2)c(c(c(c1F)F)N1CCN(CC1)C)F)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.3822725
LogD (pH = 7.4)
4.3587365
Log P
4.4029183
Molar Refractivity
92.2266
Polarizability
36.311077
Polar Surface Area
19.37
Rotatable Bonds
1
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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