Molecule

ID:96579

General Information
Structure
MolImage
Molecular Formula
C₂₉H₂₄F₆NP
Molecular Mass
531.4717402
Exact Mass
531.15505572
Charge
0
InChI
InChI=1S/C29H24F6NP/c1-19-7-4-10-25(13-19)37(26-11-5-8-20(2)14-26,27-12-6-9-21(3)15-27)36-24-17-22(28(30,31)32)16-23(18-24)29(33,34)35/h4-18H,1-3H3
InChIKey
RBQXBXJJNKCMHQ-UHFFFAOYSA-N
Canonic Smiles
Cc1cccc(c1)P(=Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F)(c1cccc(c1)C)c1cccc(c1)C
Isomeric Smiles
P(=Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F)(c1cc(ccc1)C)(c1cccc(c1)C)c1cccc(c1)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
10.448073
LogD (pH = 7.4)
10.4481
Log P
10.4481
Molar Refractivity
138.8824
Polarizability
50.22091
Polar Surface Area
12.36
Rotatable Bonds
6
Lipinski's Rule of Five
false
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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