Molecule

ID:135698

General Information
Structure
MolImage
Molecular Formula
C₃₁H₄₃BF₄NO₂P₂Rh
Molecular Mass
713.3362548
Exact Mass
713.18532516
Charge
0
InChI
InChI=1S/C23H31NO2P2.C8H12.BF4.Rh/c1-15-10-11-16(2)27(15)20-21(28-17(3)12-13-18(28)4)23(26)24(22(20)25)14-19-8-6-5-7-9-19;1-2-4-6-8-7-5-3-1;2-1(3,4)5;/h5-9,15-18H,10-14H2,1-4H3;1-2,7-8H,3-6H2;;/q;;-1;+1/t15-,16-,17-,18-;;;/m1.../s1
InChIKey
QEOWLBWXCFPIMZ-JDKOHWMVSA-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)Cc1ccccc1)C.[Rh+]
Isomeric Smiles
[B-](F)(F)(F)F.C[C@H]1P([C@@H](CC1)C)C1=C(C(=O)N(C1=O)Cc1ccccc1)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)
2.321948
LogD (pH = 7.4)
2.322888
Log P
2.3229
Molar Refractivity
127.0337
Polarizability
45.923542
Polar Surface Area
37.38
Rotatable Bonds
4
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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