Molecule

ID:31266

General Information
Structure
MolImage
Molecular Formula
C₉H₁₄ClNS
Molecular Mass
203.73216
Exact Mass
203.05354813
Charge
0
InChI
InChI=1S/C9H13NS.ClH/c1-2-8-7-4-6-11-9(7)3-5-10-8;/h4,6,8,10H,2-3,5H2,1H3;1H
InChIKey
UDOHOSQYCAIDMR-UHFFFAOYSA-N
Canonic Smiles
CCC1NCCc2c1ccs2.Cl
Isomeric Smiles
c12c(scc1)CCNC2CC.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.6956831
LogD (pH = 7.4)
0.60631514
Log P
2.423462
Molar Refractivity
48.5587
Polarizability
18.89686
Polar Surface Area
12.03
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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