Molecule

ID:135714

General Information
Structure
MolImage
Molecular Formula
C₂₅H₃₉BF₄NO₂P₂Rh
Molecular Mass
637.2402948
Exact Mass
637.15402503
Charge
0
InChI
InChI=1S/C17H27NO2P2.C8H12.BF4.Rh/c1-10-6-7-11(2)21(10)14-15(17(20)18(5)16(14)19)22-12(3)8-9-13(22)4;1-2-4-6-8-7-5-3-1;2-1(3,4)5;/h10-13H,6-9H2,1-5H3;1-2,7-8H,3-6H2;;/q;;-1;+1/t10-,11-,12-,13-;;;/m1.../s1
InChIKey
QCRUTDCTICXOLE-QWCVTFIASA-N
Canonic Smiles
C1CC=CCCC=C1.F[B-](F)(F)F.C[C@@H]1CC[C@H](P1C1=C(P2[C@H](C)CC[C@H]2C)C(=O)N(C1=O)C)C.[Rh+]
Isomeric Smiles
[B-](F)(F)(F)F.C[C@H]1P([C@@H](CC1)C)C1=C(C(=O)N(C1=O)C)P1[C@@H](CC[C@H]1C)C.C1C=CCCC=CC1.[Rh+]
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.5452949
LogD (pH = 7.4)
0.5462873
Log P
0.5463
Molar Refractivity
102.4211
Polarizability
36.342
Polar Surface Area
37.38
Rotatable Bonds
2
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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