1-ACETYL-3-PHENYLUREA

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Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 05RQM063WD
EPA CompTox DTXSID50144509

Structure

InChI Key RUPVBKFFZNPEPS-UHFFFAOYSA-N
Smiles CC(=O)NC(=O)Nc1ccccc1
InChI
InChI=1S/C9H10N2O2/c1-7(12)10-9(13)11-8-5-3-2-4-6-8/h2-6H,1H3,(H2,10,11,12,13)

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H10N2O2
Molecular Weight 178.07
AlogP 2.21
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 65.18
Heavy Atoms 13.0

Cross References

Resources Reference
CAS NUMBER 102-03-4
NORMAN SUSDAT
FDA SRS 05RQM063WD
PubChem 66877
ChemSpider 60240.0
CONTENTS