Molecule

ID:136707

General Information
Structure
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Molecular Formula
C₁₈H₅₄N₃ScSi₆
Molecular Mass
526.11037
Exact Mass
525.24924484
Charge
0
InChI
InChI=1S/3C6H18NSi2.Sc/c3*1-8(2,3)7-9(4,5)6;/h3*1-6H3;/q3*-1;+3
InChIKey
VVKVYZMGNYLTGI-UHFFFAOYSA-N
Canonic Smiles
C[Si](N([Si](C)(C)C)[Sc](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)[Sc](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)
-0.92241466
LogD (pH = 7.4)
-0.55809194
Log P
-0.0222
Molar Refractivity
116.097
Polarizability
59.079357
Polar Surface Area
9.72
Rotatable Bonds
9
Lipinski's Rule of Five
false
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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