CID 6568193
PubChem CID
6568193
Structure
Molecular Formula
Status
Non-live
Molecular Weight
304.4 g/mol
Dates
- Create:2006-05-23
Chemical Structure Depiction
[6-oxo-6-[(1R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]hexyl]azanium
InChI=1S/C17H25N3O2/c18-8-3-1-2-6-16(21)19-10-13-9-14(12-19)15-5-4-7-17(22)20(15)11-13/h4-5,7,13-14H,1-3,6,8-12,18H2/p+1/t13-,14+/m0/s1
MYBDPOHDPYQGSI-UONOGXRCSA-O
C1[C@H]2CN(C[C@@H]1C3=CC=CC(=O)N3C2)C(=O)CCCCC[NH3+]
C17H26N3O2+
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
304.4 g/mol
Property Name
XLogP3-AA
Property Value
0.2
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
2
Property Name
Rotatable Bond Count
Property Value
5
Property Name
Exact Mass
Property Value
304.20250208 g/mol
Property Name
Monoisotopic Mass
Property Value
304.20250208 g/mol
Property Name
Topological Polar Surface Area
Property Value
68.3A^2
Property Name
Heavy Atom Count
Property Value
22
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
512
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
2
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