Molecule

ID:121428

General Information
Structure
MolImage
Molecular Formula
C₉H₁₆ClNS
Molecular Mass
205.74804
Exact Mass
205.0691982
Charge
0
InChI
InChI=1S/C9H15NS.ClH/c1-2-3-6-10-8-9-5-4-7-11-9;/h4-5,7,10H,2-3,6,8H2,1H3;1H
InChIKey
ZIVHEGOSGPPUPK-UHFFFAOYSA-N
Canonic Smiles
CCCCNCc1cccs1.Cl
Isomeric Smiles
s1c(ccc1)CNCCCC.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.40171558
LogD (pH = 7.4)
0.70801234
Log P
2.768375
Molar Refractivity
50.0695
Polarizability
19.71417
Polar Surface Area
12.03
Rotatable Bonds
5
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
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Molecule Details
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References
Bioactivity
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