Molecule

ID:136304

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₄Pd
Molecular Mass
288.68096
Exact Mass
288.01303645
Charge
0
InChI
InChI=1S/C9H9.C5H5.Pd/c1-2-6-9-7-4-3-5-8-9;1-2-4-5-3-1;/h2-8H,1H2;1-5H;/q2*-1;+2/b6-2+;;
InChIKey
XGXLXDILAKXROZ-UKBMIWHLSA-N
Canonic Smiles
[CH-]1C=CC=C1.[CH2-]/C=C/c1ccccc1.[Pd+2]
Isomeric Smiles
[CH2-]/C=C/c1ccccc1.C1=CC=C[CH-]1.[Pd+2]
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
-0.37842202
LogD (pH = 7.4)
-0.37842202
Log P
3.096583
Molar Refractivity
40.3256
Polarizability
15.76294
Polar Surface Area
0.0
Rotatable Bonds
1
Lipinski's Rule of Five
true
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