Molecule

ID:90448

General Information
Structure
MolImage
Molecular Formula
C₂₀H₃₅N₃Sn
Molecular Mass
436.213
Exact Mass
437.18529214
Charge
0
InChI
InChI=1S/3C6H11.C2H2N3.Sn/c3*1-2-4-6-5-3-1;1-3-2-5-4-1;/h3*1H,2-6H2;1-2H;/q;;;-1;+1
InChIKey
ONHBDDJJTDTLIR-UHFFFAOYSA-N
Canonic Smiles
C1CCC(CC1)[Sn](n1ncnc1)(C1CCCCC1)C1CCCCC1
Isomeric Smiles
[Sn](C1CCCCC1)(C1CCCCC1)(n1ncnc1)C1CCCCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.2796965
LogD (pH = 7.4)
4.281675
Log P
4.2817
Molar Refractivity
108.6549
Polarizability
42.579502
Polar Surface Area
30.71
Rotatable Bonds
4
Lipinski's Rule of Five
true
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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