Molecule

ID:93705

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₄F₅N₃
Molecular Mass
331.283776
Exact Mass
331.11078856
Charge
0
InChI
InChI=1S/C15H14F5N3/c16-9-6-10-12(23-4-1-2-21-3-5-23)8-13(15(18,19)20)22-14(10)11(17)7-9/h6-8,21H,1-5H2
InChIKey
QZGODDRZHOXCMG-UHFFFAOYSA-N
Canonic Smiles
Fc1cc(F)c2c(c1)c(cc(n2)C(F)(F)F)N1CCNCCC1
Isomeric Smiles
N1(c2cc(nc3c(cc(cc23)F)F)C(F)(F)F)CCCNCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.12266612
LogD (pH = 7.4)
1.1182159
Log P
3.3120785
Molar Refractivity
76.0632
Polarizability
28.60334
Polar Surface Area
28.16
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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