CID 52158529
PubChem CID
52158529
Structure
Molecular Formula
Status
Non-live
Molecular Weight
385.6 g/mol
Dates
- Create:2011-05-20
Chemical Structure Depiction
(2R)-2-methyl-3-oxo-N-(2,4,5-trichlorophenyl)-4H-1,4-benzoxazine-2-carboxamide
InChI=1S/C16H11Cl3N2O3/c1-16(14(22)20-11-4-2-3-5-13(11)24-16)15(23)21-12-7-9(18)8(17)6-10(12)19/h2-7H,1H3,(H,20,22)(H,21,23)/t16-/m1/s1
NLWOJJUJSBGEJM-MRXNPFEDSA-N
C[C@@]1(C(=O)NC2=CC=CC=C2O1)C(=O)NC3=CC(=C(C=C3Cl)Cl)Cl
C16H11Cl3N2O3
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
385.6 g/mol
Property Name
XLogP3-AA
Property Value
4.1
Property Name
Hydrogen Bond Donor Count
Property Value
2
Property Name
Hydrogen Bond Acceptor Count
Property Value
3
Property Name
Rotatable Bond Count
Property Value
2
Property Name
Exact Mass
Property Value
383.983525 g/mol
Property Name
Monoisotopic Mass
Property Value
383.983525 g/mol
Property Name
Topological Polar Surface Area
Property Value
67.4 A^2
Property Name
Heavy Atom Count
Property Value
24
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
521
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
1
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Property Name
Defined Bond Stereocenter Count
Property Value
0
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Property Name
Covalently-Bonded Unit Count
Property Value
1
Property Name
Compound Is Canonicalized
Property Value
Yes
Old substance
Old substance
CONTENTS