CID 6795064
PubChem CID
6795064
Structure
Preferred Compound
Molecular Formula
Status
Non-live
Molecular Weight
267.63 g/mol
Dates
- Create:2006-06-06
Chemical Structure Depiction
4-chloro-2-nitro-6-[(1,2,4-triazol-4-ylamino)methylidene]cyclohexa-2,4-dien-1-one
InChI=1S/C9H6ClN5O3/c10-7-1-6(3-13-14-4-11-12-5-14)9(16)8(2-7)15(17)18/h1-5,13H
MZMWNVMJRYSFAQ-UHFFFAOYSA-N
C1=C(C=C(C(=O)C1=CNN2C=NN=C2)[N+](=O)[O-])Cl
C9H6ClN5O3
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
267.63 g/mol
Property Name
XLogP3-AA
Property Value
1.2
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
6
Property Name
Rotatable Bond Count
Property Value
2
Property Name
Exact Mass
Property Value
267.0159168 g/mol
Property Name
Monoisotopic Mass
Property Value
267.0159168 g/mol
Property Name
Topological Polar Surface Area
Property Value
106 A^2
Property Name
Heavy Atom Count
Property Value
18
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
473
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
1
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
Old substance
Old substance
Old substance
Old substance
Old substance
Old substance
Old substance
CONTENTS