Molecule

ID:129189

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄N₂S
Molecular Mass
206.30726
Exact Mass
206.08776946
Charge
0
InChI
InChI=1S/C11H14N2S/c1-13-8-3-7-12-11(13)6-5-10-4-2-9-14-10/h2,4-6,9H,3,7-8H2,1H3/b6-5+
InChIKey
YSAUAVHXTIETRK-AATRIKPKSA-N
Canonic Smiles
CN1CCCN=C1/C=C/c1cccs1
Isomeric Smiles
CN1CCCN=C1/C=C/c1cccs1
Calculated Properties
JChem
LogD (pH = 7.4)
-0.40
LogD (pH = 5.5)
-0.45
Log P
1.96
Rotatable Bonds
2
H Donor
0
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
10.71
Polar Surface Area
15.60
Polarizability
23.34
Molar Refractivity
61.81
LOG S
-2.75
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
References
Bioactivity
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