Molecule

ID:14141

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆N₂S
Molecular Mass
208.32314
Exact Mass
208.10341952
Charge
0
InChI
InChI=1S/C11H16N2S/c1-13(2)10-5-3-9(4-6-10)11-12-7-8-14-11/h3-6,11-12H,7-8H2,1-2H3
InChIKey
ISSWNDGJXPGDPC-UHFFFAOYSA-N
Canonic Smiles
CN(c1ccc(cc1)C1NCCS1)C
Isomeric Smiles
C1(NCCS1)c1ccc(N(C)C)cc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.33152077
LogD (pH = 7.4)
1.4370922
Log P
2.1983218
Molar Refractivity
63.8701
Polarizability
24.555574
Polar Surface Area
15.27
Rotatable Bonds
2
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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