Molecule

ID:136708

General Information
Structure
Molecular Formula
C₁₈H₅₄CeN₃Si₆
Molecular Mass
621.27046
Exact Mass
620.19877094
Charge
0
InChI
InChI=1S/3C6H18NSi2.Ce/c3*1-8(2,3)7-9(4,5)6;/h3*1-6H3;/q3*-1;+3
InChIKey
DPCZDYUESIKMSU-UHFFFAOYSA-N
Canonic Smiles
C[Si](N([Si](C)(C)C)[Ce](N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)(C)C
Isomeric Smiles
C[Si](C)(C)N([Si](C)(C)C)[Ce](N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
-1.0852274
LogD (pH = 7.4)
-0.62881976
Log P
-0.0222
Molar Refractivity
116.097
Polarizability
61.59752
Polar Surface Area
9.72
Rotatable Bonds
9
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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