Molecule

ID:9941

General Information
Structure
MolImage
Molecular Formula
C₆H₉NS
Molecular Mass
127.20736
Exact Mass
127.04557029
Charge
0
InChI
InChI=1S/C6H9NS/c8-5-7-6-3-1-2-4-6/h6H,1-4H2
InChIKey
PJOODZCPFADLCI-UHFFFAOYSA-N
Canonic Smiles
S=C=NC1CCCC1
Isomeric Smiles
C1(N=C=S)CCCC1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.424352
LogD (pH = 7.4)
2.424352
Log P
2.424352
Molar Refractivity
37.7423
Polarizability
14.941386
Polar Surface Area
12.36
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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