Molecule

ID:135716

General Information
Structure
MolImage
Molecular Formula
C₃₂H₄₅BF₄NO₂P₂Rh
Molecular Mass
727.3628348
Exact Mass
727.20097523
Charge
0
InChI
InChI=1S/C24H33NO2P2.C8H12.BF4.Rh/c1-14-11-15(2)13-20(12-14)25-23(26)21(28-16(3)7-8-17(28)4)22(24(25)27)29-18(5)9-10-19(29)6;1-2-4-6-8-7-5-3-1;2-1(3,4)5;/h11-13,16-19H,7-10H2,1-6H3;1-2,7-8H,3-6H2;;/q;;-1;+1/t16-,17-,18-,19-;;;/m1.../s1
InChIKey
RHNKFALODSEMQA-FZPVDGIPSA-N
Canonic Smiles
C1CC=CCCC=C1.F[B-](F)(F)F.Cc1cc(C)cc(c1)N1C(=O)C(=C(C1=O)P1[C@H](C)CC[C@H]1C)P1[C@H](C)CC[C@H]1C.[Rh+]
Isomeric Smiles
[B-](F)(F)(F)F.Cc1cc(cc(c1)C)N1C(=O)C(=C(C1=O)P1[C@@H](CC[C@H]1C)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)
3.1621637
LogD (pH = 7.4)
3.162397
Log P
3.1624
Molar Refractivity
132.2811
Polarizability
47.595215
Polar Surface Area
37.38
Rotatable Bonds
3
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation