ICA-105574   Click here for help

GtoPdb Ligand ID: 7656

Synonyms: ICA 105574 | ICA105574
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 81.47
Molecular weight 334.1
XLogP 4.37
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES O=C(c1cccc(c1)[N+](=O)[O-])Nc1ccc(cc1)Oc1ccccc1
Isomeric SMILES O=C(c1cccc(c1)[N+](=O)[O-])Nc1ccc(cc1)Oc1ccccc1
InChI InChI=1S/C19H14N2O4/c22-19(14-5-4-6-16(13-14)21(23)24)20-15-9-11-18(12-10-15)25-17-7-2-1-3-8-17/h1-13H,(H,20,22)
InChI Key GDWKBKTVROCPNZ-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
3-nitro-N-[4-(phenoxy)phenyl]benzamide
Synonyms Click here for help
ICA 105574 | ICA105574
Database Links Click here for help
CAS Registry No. 316146-57-3 (source: Scifinder)
GtoPdb PubChem SID 223365991
PubChem CID 715924
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