Molecule
ID:58466
General Information
Molecular Formula
C₁₁H₁₈N₂S
Molecular Mass
210.33902
Exact Mass
210.11906959
Charge
0
InChI
InChI=1S/C11H18N2S/c12-10(14)13-11-4-7-1-8(5-11)3-9(2-7)6-11/h7-9H,1-6H2,(H3,12,13,14)
InChIKey
LRWQENBAFMBIJR-UHFFFAOYSA-N
Canonic Smiles
NC(=S)NC12CC3CC(C2)CC(C1)C3
Isomeric Smiles
C1C2CC3(CC1CC(C3)C2)NC(=S)N
Calculated Properties
JChem
Acid pKa
12.920175
H Acceptors
0
H Donor
2
LogD (pH = 5.5)
1.8411169
LogD (pH = 7.4)
1.8411156
Log P
1.8411182
Molar Refractivity
61.647
Polarizability
24.519588
Polar Surface Area
38.05
Rotatable Bonds
1
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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