Molecule

ID:118739

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄N₂S
Molecular Mass
206.30726
Exact Mass
206.08776946
Charge
0
InChI
InChI=1S/C11H14N2S/c1-9-3-2-4-10(7-9)8-14-11-12-5-6-13-11/h2-4,7H,5-6,8H2,1H3,(H,12,13)
InChIKey
OJCCCODTWJGHJO-UHFFFAOYSA-N
Canonic Smiles
Cc1cccc(c1)CSC1=NCCN1
Isomeric Smiles
C1(=NCCN1)SCc1cc(ccc1)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.54721195
LogD (pH = 7.4)
1.6969911
Log P
2.8773375
Molar Refractivity
61.9697
Polarizability
23.685345
Polar Surface Area
24.39
Rotatable Bonds
3
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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