Molecule

ID:55668

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₅Cl₂NS
Molecular Mass
252.2038
Exact Mass
251.03022585
Charge
0
InChI
InChI=1S/C10H14ClNS.ClH/c11-9-4-3-8(13-9)10(7-12)5-1-2-6-10;/h3-4H,1-2,5-7,12H2;1H
InChIKey
WQLXWRGPCDNMCE-UHFFFAOYSA-N
Canonic Smiles
NCC1(CCCC1)c1ccc(s1)Cl.Cl
Isomeric Smiles
c1(sc(cc1)Cl)C1(CN)CCCC1.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.27733013
LogD (pH = 7.4)
1.3826916
Log P
3.2389827
Molar Refractivity
56.4105
Polarizability
22.667715
Polar Surface Area
26.02
Rotatable Bonds
2
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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