1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

[(Z)-(3-hydroxy-1-methyl-6-oxo-2,3-dihydroindol-5-ylidene)amino]urea

2.1.2 InChI

InChI=1S/C10H12N4O3/c1-14-4-9(16)5-2-6(12-13-10(11)17)8(15)3-7(5)14/h2-3,9,16H,4H2,1H3,(H3,11,13,17)/b12-6-

2.1.3 InChI Key

XSXCZNVKFKNLPR-SDQBBNPISA-N

2.1.4 Canonical SMILES

CN1CC(C2=CC(=NNC(=O)N)C(=O)C=C21)O

2.1.5 Isomeric SMILES

CN1CC(C2=C/C(=N/NC(=O)N)/C(=O)C=C21)O

2.2 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₁₀H₁₂N₄O₃
Molecular Weight	236.23 g/mol
XLogP3	-1.6
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Exact Mass	236.09094026 g/mol
Monoisotopic Mass	236.09094026 g/mol
Topological Polar Surface Area	108 A^2
Heavy Atom Count	17
Formal Charge	0
Complexity	478
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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