Molecule

ID:78653

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₈ClNS
Molecular Mass
279.82812
Exact Mass
279.08484826
Charge
0
InChI
InChI=1S/C15H18ClNS/c1-2-3-4-5-12-6-8-13(9-7-12)15-17-14(10-16)11-18-15/h6-9,11H,2-5,10H2,1H3
InChIKey
CLYMMYUMRHKSNK-UHFFFAOYSA-N
Canonic Smiles
CCCCCc1ccc(cc1)c1scc(n1)CCl
Isomeric Smiles
n1c(c2ccc(cc2)CCCCC)scc1CCl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
5.617104
LogD (pH = 7.4)
5.6172175
Log P
5.617219
Molar Refractivity
89.1579
Polarizability
31.161491
Polar Surface Area
12.89
Rotatable Bonds
6
Lipinski's Rule of Five
false
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
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References
Bioactivity
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