Free Chemical Databases
-
[Synonyms]
NSC88177
ZINC00568822
[Structure]
[ Properties Computed from Structure]
Molecular Weight 324.76102 [g/mol] Molecular Formula C18H13ClN2O2 XLogP 4.9 H-Bond Donor 2 H-Bond Acceptor 2 Rotatable Bond Count 2 Tautomer Count 4 Exact Mass 324.066555 MonoIsotopic Mass 324.066555 Topological Polar Surface Area 58.2 Heavy Atom Count 23 Formal Charge 0 Complexity 435 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 0 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 0 Covalently-Bonded Unit Count 1
[ Descriptors Computed from Structure]
IUPAC Name: N'-(4-chlorobenzoyl)naphthalene-1-carbohydrazide
Canonical SMILES: C1=CC=C2C(=C1)C=CC=C2C(=O)NNC(=O)C3=CC=C(C=C3)Cl
InChI: InChI=1/C18H13ClN2O2/c19-14-10-8-13(9-11-14)17(22)20-21-18(23)16-7-3-5-
12-4-1-2-6-15(12)16/h1-11H,(H,20,22)(H,21,23)/f/h20-21H
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