Molecule

ID:37130

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₈Cl₂N₂S
Molecular Mass
269.23432
Exact Mass
268.05677495
Charge
0
InChI
InChI=1S/C10H16N2S.2ClH/c11-9-3-1-5-12(7-9)8-10-4-2-6-13-10;;/h2,4,6,9H,1,3,5,7-8,11H2;2*1H
InChIKey
SHNYCLXHOMYBRF-UHFFFAOYSA-N
Canonic Smiles
NC1CCCN(C1)Cc1cccs1.Cl.Cl
Isomeric Smiles
N1(Cc2sccc2)CC(N)CCC1.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.863888
LogD (pH = 7.4)
-0.8390601
Log P
1.4961047
Molar Refractivity
56.6516
Polarizability
22.350176
Polar Surface Area
29.26
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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