Free Chemical Databases
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[Synonyms]
[Structure]
[ Properties Computed from Structure]
Molecular Weight 328.3657 [g/mol] Molecular Formula C17H20N4O3 XLogP 2.8 H-Bond Donor 5 H-Bond Acceptor 7 Rotatable Bond Count 8 Exact Mass 328.153541 MonoIsotopic Mass 328.153541 Topological Polar Surface Area 110 Heavy Atom Count 24 Formal Charge 0 Complexity 405 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 2 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 1 Covalently-Bonded Unit Count 1
[ Descriptors Computed from Structure]
IUPAC Name: 5-phenyldiazenyl-4-(2-phenylhydrazinyl)pent-4-ene-1,2,3-triol
Canonical SMILES: C1=CC=C(C=C1)NNC(=CN=NC2=CC=CC=C2)C(C(CO)O)O
InChI: InChI=1/C17H20N4O3/c22-12-16(23)17(24)15(21-20-14-9-5-2-6-10-14)11-18-
19-13-7-3-1-4-8-13/h1-11,16-17,20-24H,12H2/b15-11u,19-18+
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