Molecule

ID:30692

General Information
Structure
MolImage
Molecular Formula
C₇H₁₅ClN₄S
Molecular Mass
222.7388
Exact Mass
222.07059518
Charge
0
InChI
InChI=1S/C7H14N4S.ClH/c1-3-12-7-10-9-6(4-5-8)11(7)2;/h3-5,8H2,1-2H3;1H
InChIKey
ASWRYAYEBBUNDE-UHFFFAOYSA-N
Canonic Smiles
NCCc1nnc(n1C)SCC.Cl
Isomeric Smiles
n1(c(nnc1CCN)SCC)C.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.874651
LogD (pH = 7.4)
-1.9875565
Log P
0.11944496
Molar Refractivity
53.6555
Polarizability
19.912882
Polar Surface Area
56.73
Rotatable Bonds
4
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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