Molecule

ID:81802

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₇NS
Molecular Mass
195.32438
Exact Mass
195.10817055
Charge
0
InChI
InChI=1S/C11H17NS/c1-10(2)8-4-5-9(6-8)11(10,3)12-7-13/h8-9H,4-6H2,1-3H3
InChIKey
JPUCWJZXLGZCHP-UHFFFAOYSA-N
Canonic Smiles
S=C=NC1(C)C2CCC(C1(C)C)C2
Isomeric Smiles
N(=C=S)C1(C(C2CC1CC2)(C)C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.6361682
LogD (pH = 7.4)
3.6361682
Log P
3.6361682
Molar Refractivity
58.4682
Polarizability
23.433369
Polar Surface Area
12.36
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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