Molecule

ID:55610

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄Cl₂N₂S
Molecular Mass
277.21326
Exact Mass
276.02547482
Charge
0
InChI
InChI=1S/C11H12N2S.2ClH/c1-8(12)10-7-13-11(14-10)9-5-3-2-4-6-9;;/h2-8H,12H2,1H3;2*1H
InChIKey
WLDAZLPUXDQKEB-UHFFFAOYSA-N
Canonic Smiles
CC(c1cnc(s1)c1ccccc1)N.Cl.Cl
Isomeric Smiles
s1c(ncc1C(N)C)c1ccccc1.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.43695128
LogD (pH = 7.4)
1.1034006
Log P
2.3315918
Molar Refractivity
69.0443
Polarizability
23.601505
Polar Surface Area
38.91
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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