Molecule

ID:24119

General Information
Structure
MolImage
Molecular Formula
C₈H₁₄ClNOS
Molecular Mass
207.72086
Exact Mass
207.04846275
Charge
0
InChI
InChI=1S/C8H13NOS.ClH/c1-10-4-3-9-6-8-2-5-11-7-8;/h2,5,7,9H,3-4,6H2,1H3;1H
InChIKey
SEGKXHGSKXFCLN-UHFFFAOYSA-N
Canonic Smiles
COCCNCc1cscc1.Cl
Isomeric Smiles
c1(ccsc1)CNCCOC.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.6957362
LogD (pH = 7.4)
-0.12874116
Log P
1.2650611
Molar Refractivity
47.4553
Polarizability
18.558702
Polar Surface Area
21.26
Rotatable Bonds
5
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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