Molecule

ID:42556

General Information
Structure
MolImage
Molecular Formula
C₇H₁₄N₄S
Molecular Mass
186.27786
Exact Mass
186.09391747
Charge
0
InChI
InChI=1S/C7H14N4S/c1-10(2)5-8-7(12)9-6-11(3)4/h5-6H,1-4H3/b8-5+,9-6+
InChIKey
XZJKOXKEGOLKDB-XVYDYJIPSA-N
Canonic Smiles
CN(/C=N/C(=S)/N=C/N(C)C)C
Isomeric Smiles
N(=C\N(C)C)/C(=S)/N=C/N(C)C
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
-0.279836
LogD (pH = 7.4)
-0.27952835
Log P
-0.27952445
Molar Refractivity
55.3813
Polarizability
20.814285
Polar Surface Area
31.2
Rotatable Bonds
0
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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