Molecule

ID:7784

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄N₂S
Molecular Mass
206.30726
Exact Mass
206.08776946
Charge
0
InChI
InChI=1S/C11H14N2S/c1-3-13(4-2)11-7-5-10(6-8-11)12-9-14/h5-8H,3-4H2,1-2H3
InChIKey
PGWXUTHWTCRUAM-UHFFFAOYSA-N
Canonic Smiles
S=C=Nc1ccc(cc1)N(CC)CC
Isomeric Smiles
C(=Nc1ccc(N(CC)CC)cc1)=S
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.7534318
LogD (pH = 7.4)
3.8158736
Log P
3.8167307
Molar Refractivity
67.0467
Polarizability
24.560389
Polar Surface Area
15.6
Rotatable Bonds
4
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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