Molecule

ID:113657

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀N₂S
Molecular Mass
202.2755
Exact Mass
202.05646933
Charge
0
InChI
InChI=1S/C11H10N2S/c14-9-12-6-8-13-7-5-10-3-1-2-4-11(10)13/h1-5,7H,6,8H2
InChIKey
FVRZLHSGVJXLOY-UHFFFAOYSA-N
Canonic Smiles
S=C=NCCn1ccc2c1cccc2
Isomeric Smiles
n1(ccc2c1cccc2)CCN=C=S
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.193809
LogD (pH = 7.4)
3.193809
Log P
3.193809
Molar Refractivity
61.4013
Polarizability
24.944849
Polar Surface Area
17.29
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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