Molecule

ID:15949

General Information
Structure
MolImage
Molecular Formula
C₄₆H₃₇ClNiP₂
Molecular Mass
745.879902
Exact Mass
744.14124502
Charge
0
InChI
InChI=1S/2C18H15P.C10H7.ClH.Ni/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-6-10-8-4-3-7-9(10)5-1;;/h2*1-15H;1-7H;1H;/q;;;;-1/p+1
InChIKey
QSKIVJZTVZFYFP-UHFFFAOYSA-O
Canonic Smiles
Cl[Ni](P(c1ccccc1)(c1ccccc1)c1ccccc1)(P(c1ccccc1)(c1ccccc1)c1ccccc1)c1cccc2c1cccc2
Isomeric Smiles
c1ccc2c(c1)c(ccc2)[Ni](P(c1ccccc1)(c1ccccc1)c1ccccc1)(P(c1ccccc1)(c1ccccc1)c1ccccc1)Cl
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
12.9561
LogD (pH = 7.4)
12.9561
Log P
12.9561
Molar Refractivity
212.9066
Polarizability
88.058304
Polar Surface Area
0.0
Rotatable Bonds
9
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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