Cambridge id 5195231Oprea1_054529Oprea1_438603SCHEMBL5536580DTXSID10241407PTSXJPLARKXKFV-UHFFFAOYSA-NHMS1369H03SMSSF-0047611
Database identifiers
CAS
943-04-4
PubChem CID
70339
DTXSID
DTXSID10241407
ChEMBL
CHEMBL5274272
EC Number
213-396-7
Nikkaji
J298.546B
Properties
Computed structural properties
XLogP
2.7
Topological polar surface area
64.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
1
Heavy atoms
13
Formal charge
0
Complexity
188
Physicochemical properties
HazardClass
IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.