Molecule

ID:93703

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₂F₅N₃
Molecular Mass
317.257196
Exact Mass
317.0951385
Charge
0
InChI
InChI=1S/C14H12F5N3/c15-8-5-9-11(22-3-1-20-2-4-22)7-12(14(17,18)19)21-13(9)10(16)6-8/h5-7,20H,1-4H2
InChIKey
RNYZTUXWUQQXLI-UHFFFAOYSA-N
Canonic Smiles
Fc1cc(F)c2c(c1)c(cc(n2)C(F)(F)F)N1CCNCC1
Isomeric Smiles
N1(c2cc(nc3c(cc(cc23)F)F)C(F)(F)F)CCNCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.26993865
LogD (pH = 7.4)
1.8145883
Log P
3.2521186
Molar Refractivity
71.1978
Polarizability
26.797777
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
No Data Available
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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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