Molecule

ID:124605

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀ClN₃S
Molecular Mass
215.7031
Exact Mass
215.02839602
Charge
0
InChI
InChI=1S/C8H10ClN3S/c9-8-10-2-1-7(11-8)12-3-5-13-6-4-12/h1-2H,3-6H2
InChIKey
RPWSDNURTKMYOG-UHFFFAOYSA-N
Canonic Smiles
Clc1nccc(n1)N1CCSCC1
Isomeric Smiles
n1c(N2CCSCC2)ccnc1Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.021468
LogD (pH = 7.4)
2.02194
Log P
2.021946
Molar Refractivity
58.3231
Polarizability
21.401253
Polar Surface Area
29.02
Rotatable Bonds
1
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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