Free Chemical Databases
-
[Synonyms]
NCIStruc1_000132
NCIStruc2_000264
MLS000766159
NSC150982
NCI60_001058
SMR000528635
2-(2-(Hydroxy(oxido)amino)vinyl)-1H-indole
14255-18-6
[Structure]
[ Properties Computed from Structure]
Molecular Weight 188.18272 [g/mol] Molecular Formula C10H8N2O2 XLogP 2.4 H-Bond Donor 1 H-Bond Acceptor 3 Rotatable Bond Count 1 Tautomer Count 2 Exact Mass 188.058578 MonoIsotopic Mass 188.058578 Topological Polar Surface Area 58.9 Heavy Atom Count 14 Formal Charge 0 Complexity 247 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: 2-(2-nitroethenyl)-1H-indole
Canonical SMILES: C1=CC=C2C(=C1)C=C(N2)C=C[N+](=O)[O-]
InChI: InChI=1/C10H8N2O2/c13-12(14)6-5-9-7-8-3-1-2-4-10(8)11-9/h1-7,11H
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