Molecule
ID:52015
General Information
Molecular Formula
C₅H₆N₂S₂
Molecular Mass
158.24454
Exact Mass
157.9972402
Charge
0
InChI
InChI=1S/C5H6N2S2/c8-4-6-2-1-3-7-5-9/h1-3H2
InChIKey
HSFDFWROECINQQ-UHFFFAOYSA-N
Canonic Smiles
S=C=NCCCN=C=S
Isomeric Smiles
C(CCN=C=S)N=C=S
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.027735
LogD (pH = 7.4)
2.027735
Log P
2.027735
Molar Refractivity
45.5546
Polarizability
17.700449
Polar Surface Area
24.72
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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