Molecule

ID:127271

General Information
Structure
MolImage
Molecular Formula
C₃₄H₂₆Cl₂F₂N₆O₂
Molecular Mass
659.5120464
Exact Mass
658.1462359
Charge
0
InChI
InChI=1S/2C17H13ClFN3O/c2*18-15-4-2-1-3-14(15)16-17(23-16,9-22-11-20-10-21-22)12-5-7-13(19)8-6-12/h2*1-8,10-11,16H,9H2/t2*16-,17-/m10/s1
InChIKey
FEVYAAHIKWPJNV-TYDMEHBZSA-N
Canonic Smiles
Fc1ccc(cc1)[C@@]1(Cn2cncn2)O[C@@H]1c1ccccc1Cl.Fc1ccc(cc1)[C@]1(Cn2cncn2)O[C@H]1c1ccccc1Cl
Isomeric Smiles
c1ccc(c(c1)[C@@H]1[C@@](O1)(Cn1cncn1)c1ccc(cc1)F)Cl.c1ccc(c(c1)[C@H]1[C@](O1)(Cn1cncn1)c1ccc(cc1)F)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.7348514
LogD (pH = 7.4)
3.7350786
Log P
3.7350814
Molar Refractivity
96.6864
Polarizability
32.40879
Polar Surface Area
43.24
Rotatable Bonds
8
Lipinski's Rule of Five
false
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
References
Bioactivity
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