Molecule

ID:126390

General Information
Structure
MolImage
Molecular Formula
C₂₁H₂₉NS₂
Molecular Mass
359.59166
Exact Mass
359.17414193
Charge
0
InChI
InChI=1S/C21H29NS2/c1-4-5-16-23-20-13-11-19(12-14-20)21(24-17-15-22(2)3)18-9-7-6-8-10-18/h6-14,21H,4-5,15-17H2,1-3H3
InChIKey
IZLPZXSZLLELBJ-UHFFFAOYSA-N
Canonic Smiles
CCCCSc1ccc(cc1)C(c1ccccc1)SCCN(C)C
Isomeric Smiles
S(c1ccc(cc1)C(SCCN(C)C)c1ccccc1)CCCC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.9606612
LogD (pH = 7.4)
4.579664
Log P
6.1320343
Molar Refractivity
112.7895
Polarizability
44.224712
Polar Surface Area
3.24
Rotatable Bonds
10
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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