1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

[(E)-(1-oxonaphthalen-2-ylidene)amino]urea

2.1.2 InChI

InChI=1S/C11H9N3O2/c12-11(16)14-13-9-6-5-7-3-1-2-4-8(7)10(9)15/h1-6H,(H3,12,14,16)/b13-9+

2.1.3 InChI Key

TZGBBMBARSFJBG-UKTHLTGXSA-N

2.1.4 Canonical SMILES

C1=CC=C2C(=C1)C=CC(=NNC(=O)N)C2=O

2.1.5 Isomeric SMILES

C1=CC=C2C(=C1)C=C/C(=N\NC(=O)N)/C2=O

2.2 Create Date

2005-09-06

3 Chemical and Physical Properties

Molecular Formula	C₁₁H₉N₃O₂
Molecular Weight	215.21 g/mol
XLogP3	1.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	215.069476538 g/mol
Monoisotopic Mass	215.069476538 g/mol
Topological Polar Surface Area	84.6 A^2
Heavy Atom Count	16
Formal Charge	0
Complexity	373
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

Naftazone