Molecule

ID:108447

General Information
Structure
MolImage
Molecular Formula
C₉H₁₈BiN₃S₆
Molecular Mass
569.62972
Exact Mass
568.96289659
Charge
0
InChI
InChI=1S/3C3H7NS2.Bi/c3*1-4(2)3(5)6;/h3*1-2H3,(H,5,6);/q;;;+3/p-3
InChIKey
USBHFGNOYVOTON-UHFFFAOYSA-K
Canonic Smiles
CN(C(=S)S[Bi](SC(=S)N(C)C)SC(=S)N(C)C)C
Isomeric Smiles
CN(C)C(=S)S[Bi](SC(=S)N(C)C)SC(=S)N(C)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.8778
LogD (pH = 7.4)
3.8778
Log P
3.8778
Molar Refractivity
103.8612
Polarizability
47.688007
Polar Surface Area
9.72
Rotatable Bonds
6
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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