Free Chemical Databases
-
[Synonyms]
NSC153165
[Structure]
[ Properties Computed from Structure]
Molecular Weight 330.33522 [g/mol] Molecular Formula C17H18N2O5 XLogP 3.4 H-Bond Donor 2 H-Bond Acceptor 7 Rotatable Bond Count 7 Tautomer Count 2 Exact Mass 330.121572 MonoIsotopic Mass 330.121572 Topological Polar Surface Area 89.4 Heavy Atom Count 24 Formal Charge 0 Complexity 423 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: 4-[2-[(2,4,5-trimethoxyphenyl)methylidene]hydrazinyl]benzoic acid
Canonical SMILES: COC1=CC(=C(C=C1C=NNC2=CC=C(C=C2)C(=O)O)OC)OC
InChI: InChI=1/C17H18N2O5/c1-22-14-9-16(24-3)15(23-2)8-12(14)10-18-19-13-6-4-11
(5-7-13)17(20)21/h4-10,19H,1-3H3,(H,20,21)/f/h20H
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