CID 30514931
PubChem CID
30514931
Structure
Molecular Formula
Status
Non-live
Molecular Weight
341.32 g/mol
Dates
- Create:2009-05-28
Chemical Structure Depiction
(4-oxo-1,2,3-benzotriazin-3-yl)methyl 6-oxo-1-propylpyridazine-3-carboxylate
InChI=1S/C16H15N5O4/c1-2-9-20-14(22)8-7-13(18-20)16(24)25-10-21-15(23)11-5-3-4-6-12(11)17-19-21/h3-8H,2,9-10H2,1H3
PPNACUHMHXMWAE-UHFFFAOYSA-N
CCCN1C(=O)C=CC(=N1)C(=O)OCN2C(=O)C3=CC=CC=C3N=N2
C16H15N5O4
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
341.32 g/mol
Property Name
XLogP3-AA
Property Value
2.1
Property Name
Hydrogen Bond Donor Count
Property Value
0
Property Name
Hydrogen Bond Acceptor Count
Property Value
7
Property Name
Rotatable Bond Count
Property Value
6
Property Name
Exact Mass
Property Value
341.11240398 g/mol
Property Name
Monoisotopic Mass
Property Value
341.11240398 g/mol
Property Name
Topological Polar Surface Area
Property Value
104 A^2
Property Name
Heavy Atom Count
Property Value
25
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
657
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
0
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
Old substance
Old substance
CONTENTS