Molecule

ID:44109

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₀N₂O₂S
Molecular Mass
270.3064
Exact Mass
270.04629857
Charge
0
InChI
InChI=1S/C14H10N2O2S/c17-8-10-1-4-12(5-2-10)18-9-11-3-6-13-14(7-11)16-19-15-13/h1-8H,9H2
InChIKey
ARKRRPKOAROMRG-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(cc1)OCc1ccc2c(c1)nsn2
Isomeric Smiles
c12c(nsn1)ccc(c2)COc1ccc(C=O)cc1
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
3.396179
LogD (pH = 7.4)
3.396179
Log P
3.396179
Molar Refractivity
74.2002
Polarizability
28.789091
Polar Surface Area
52.08
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
No Data Available
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Molecule Details
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References
Bioactivity
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