Molecule

ID:1307

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₃NS
Molecular Mass
249.41482
Exact Mass
249.15512074
Charge
0
InChI
InChI=1S/C15H23NS/c1-3-9-15(10-4-1,14-8-7-13-17-14)16-11-5-2-6-12-16/h7-8,13H,1-6,9-12H2
InChIKey
JUZZEWSCNBCFRL-UHFFFAOYSA-N
Canonic Smiles
C1CCN(CC1)C1(CCCCC1)c1cccs1
Isomeric Smiles
s1c(C2(N3CCCCC3)CCCCC2)ccc1
Calculated Properties
JChem
LogD (pH = 7.4)
1.72
LogD (pH = 5.5)
0.93
Log P
4.40
Rotatable Bonds
2
H Donor
0
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
10.15
Polar Surface Area
3.24
Polarizability
29.40
Molar Refractivity
74.54
LOG S
-3.36
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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