Molecule

ID:55427

General Information
Structure
MolImage
Molecular Formula
C₈H₂₀Cl₂N₂S
Molecular Mass
247.2288
Exact Mass
246.07242501
Charge
0
InChI
InChI=1S/C8H18N2S.2ClH/c1-11-7-6-10-4-2-8(9)3-5-10;;/h8H,2-7,9H2,1H3;2*1H
InChIKey
IYPURCILWWXAJP-UHFFFAOYSA-N
Canonic Smiles
CSCCN1CCC(CC1)N.Cl.Cl
Isomeric Smiles
CSCCN1CCC(CC1)N.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-5.460983
LogD (pH = 7.4)
-3.3791385
Log P
0.19371639
Molar Refractivity
52.4958
Polarizability
20.861406
Polar Surface Area
29.26
Rotatable Bonds
3
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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