CID 30514288
PubChem CID
30514288
Structure
Molecular Formula
Status
Non-live
Molecular Weight
355.3 g/mol
Dates
- Create:2009-05-28
Chemical Structure Depiction
(4-oxo-1,2,3-benzotriazin-3-yl)methyl 1-butyl-6-oxopyridazine-3-carboxylate
InChI=1S/C17H17N5O4/c1-2-3-10-21-15(23)9-8-14(19-21)17(25)26-11-22-16(24)12-6-4-5-7-13(12)18-20-22/h4-9H,2-3,10-11H2,1H3
UYKSSJADCZWHHC-UHFFFAOYSA-N
CCCCN1C(=O)C=CC(=N1)C(=O)OCN2C(=O)C3=CC=CC=C3N=N2
C17H17N5O4
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
355.3 g/mol
Property Name
XLogP3-AA
Property Value
2.4
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
7
Property Name
Exact Mass
Property Value
355.12805404 g/mol
Property Name
Monoisotopic Mass
Property Value
355.12805404 g/mol
Property Name
Topological Polar Surface Area
Property Value
104 A^2
Property Name
Heavy Atom Count
Property Value
26
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
672
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