Molecule
ID:120578
General Information
Molecular Formula
C₁₄H₁₂N₂OS
Molecular Mass
256.32288
Exact Mass
256.06703401
Charge
0
InChI
InChI=1S/C14H12N2OS/c1-17-12-7-6-9(8-10(12)15)14-16-11-4-2-3-5-13(11)18-14/h2-8H,15H2,1H3
InChIKey
MSIJNZJXLMCTNP-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1N)c1nc2c(s1)cccc2
Isomeric Smiles
c1(nc2c(s1)cccc2)c1cc(c(cc1)OC)N
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.1465743
LogD (pH = 7.4)
3.1515806
Log P
3.1516447
Molar Refractivity
83.3939
Polarizability
29.58054
Polar Surface Area
48.14
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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