Molecule

ID:104335

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₂N₂OS
Molecular Mass
256.32288
Exact Mass
256.06703401
Charge
0
InChI
InChI=1S/C14H12N2OS/c1-16(2)9-3-5-11-13(7-9)18-14-8-10(17)4-6-12(14)15-11/h3-8H,1-2H3
InChIKey
ALJHHTHBYJROOG-UHFFFAOYSA-N
Canonic Smiles
O=c1ccc2c(c1)sc1c(n2)ccc(c1)N(C)C
Isomeric Smiles
CN(C)c1cc2c(cc1)nc1ccc(=O)cc1s2
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.6585658
LogD (pH = 7.4)
2.6603305
Log P
2.6603532
Molar Refractivity
80.8156
Polarizability
28.093187
Polar Surface Area
32.67
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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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