Molecule

ID:35359

General Information
Structure
Molecular Formula
C₇H₁₀ClN₃S
Molecular Mass
203.6924
Exact Mass
203.02839602
Charge
0
InChI
InChI=1S/C7H10ClN3S/c8-6-7(10-12-9-6)11-4-2-1-3-5-11/h1-5H2
InChIKey
UCQNXWQHJHOKRH-UHFFFAOYSA-N
Canonic Smiles
Clc1nsnc1N1CCCCC1
Isomeric Smiles
c1(c(nsn1)Cl)N1CCCCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.7327855
LogD (pH = 7.4)
2.732787
Log P
2.732787
Molar Refractivity
53.5844
Polarizability
18.932573
Polar Surface Area
29.02
Rotatable Bonds
1
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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