Free Chemical Databases
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[Synonyms]
[Structure]
[ Properties Computed from Structure]
Molecular Weight 286.3058 [g/mol] Molecular Formula C14H10N2O3S XLogP 2.2 H-Bond Donor 1 H-Bond Acceptor 5 Rotatable Bond Count 2 Tautomer Count 5 Exact Mass 286.041213 MonoIsotopic Mass 286.041213 Topological Polar Surface Area 71.8 Heavy Atom Count 20 Formal Charge 0 Complexity 463 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 0 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 1 Covalently-Bonded Unit Count 1
[ Descriptors Computed from Structure]
IUPAC Name: 2-hydroxy-3-[(4-methyl-1,3-thiazol-2-yl)iminomethyl]chromen-4-one
Canonical SMILES: CC1=CSC(=N1)N=CC2=C(OC3=CC=CC=C3C2=O)O
InChI: InChI=1/C14H10N2O3S/c1-8-7-20-14(16-8)15-6-10-12(17)9-4-2-3-5-11(9)19-13
(10)18/h2-7,18H,1H3/b15-6+
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