Structural Complex
Chemical ID: ZYB
IUPAC Name: 4-Fluorobenzamidoxime
Formal Charge: 0
Type: non-polymer
Substructure
Substruture Type: MurckoScaffold
SMILES: c1ccccc1
InChI: InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H
InChI Key: UHOVQNZJYSORNB-UHFFFAOYSA-N
Physiochemical Descriptor:
Formula: C7 H7 F N2 O
Molecular weight: 154.142
Hydrogen Bond Acceptor: 2
Hydrogen Bond Donor: 2
Rotatable Bonds: 2
Heavy Atoms: 11
Systematic name
Program Version Descriptor
ACDLabs 12.01 4-fluoro-N'-hydroxybenzenecarboximidamide
OpenEye OEToolkits 1.7.6 4-fluoranyl-N'-oxidanyl-benzenecarboximidamide
Chemical Descriptors
Type Program Version Descriptor
SMILES ACDLabs 12.01 Fc1ccc(C(=N\O)\N)cc1
InChI InChI 1.03 InChI=1S/C7H7FN2O/c8-6-3-1-5(2-4-6)7(9)10-11/h1-4,11H,(H2,9,10)
InChIKey InChI 1.03 OSUPWUQRPLIJKX-UHFFFAOYSA-N
SMILES_CANONICAL CACTVS 3.385 NC(=N\O)/c1ccc(F)cc1
SMILES CACTVS 3.385 NC(=NO)c1ccc(F)cc1
SMILES_CANONICAL OpenEye OEToolkits 1.7.6 c1cc(ccc1/C(=N/O)/N)F
SMILES OpenEye OEToolkits 1.7.6 c1cc(ccc1C(=NO)N)F
Chemical Database Mapping
Database Reference ID
PubChem 5373403,593000,5960802
ZINC ZINC000012649842
SureChEMBL SCHEMBL103111
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