Molecule

ID:74732

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅Cl₂NS
Molecular Mass
264.2145
Exact Mass
263.03022585
Charge
0
InChI
InChI=1S/C11H14ClNS.ClH/c12-9-3-5-10(6-4-9)14-11-2-1-7-13-8-11;/h3-6,11,13H,1-2,7-8H2;1H
InChIKey
MEZAHTQYKALDOM-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)SC1CCCNC1.Cl
Isomeric Smiles
S(c1ccc(cc1)Cl)C1CCCNC1.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.15329969
LogD (pH = 7.4)
0.9335593
Log P
3.0211592
Molar Refractivity
63.7327
Polarizability
25.237877
Polar Surface Area
12.03
Rotatable Bonds
2
Lipinski's Rule of Five
true
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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