Molecule
ID:121596
General Information
Molecular Formula
C₉H₁₇NS
Molecular Mass
171.30298
Exact Mass
171.10817055
Charge
0
InChI
InChI=1S/C9H17NS/c1-3-5-6-7-9(4-2)10-8-11/h9H,3-7H2,1-2H3
InChIKey
IUOQCUQCXBFNRI-UHFFFAOYSA-N
Canonic Smiles
CCCCCC(N=C=S)CC
Isomeric Smiles
C(=S)=NC(CC)CCCCC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.2217836
LogD (pH = 7.4)
4.2217836
Log P
4.2217836
Molar Refractivity
53.3475
Polarizability
21.22108
Polar Surface Area
12.36
Rotatable Bonds
6
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
No Data Available
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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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