CID 53917373
PubChem CID
53917373
Structure
Preferred Compound
Molecular Formula
Status
Non-live
Molecular Weight
346.8 g/mol
Dates
- Create:2011-12-04
Chemical Structure Depiction
4-[2-(2-oxonaphthalen-1-ylidene)hydrazinyl]benzenesulfonyl chloride
InChI=1S/C16H11ClN2O3S/c17-23(21,22)13-8-6-12(7-9-13)18-19-16-14-4-2-1-3-11(14)5-10-15(16)20/h1-10,18H
ZSCXJMFNOSDRML-UHFFFAOYSA-N
C1=CC=C2C(=C1)C=CC(=O)C2=NNC3=CC=C(C=C3)S(=O)(=O)Cl
C16H11ClN2O3S
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
346.8 g/mol
Property Name
XLogP3-AA
Property Value
3.7
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
5
Property Name
Rotatable Bond Count
Property Value
3
Property Name
Exact Mass
Property Value
346.0178911 g/mol
Property Name
Monoisotopic Mass
Property Value
346.0178911 g/mol
Property Name
Topological Polar Surface Area
Property Value
84 A^2
Property Name
Heavy Atom Count
Property Value
23
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
616
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
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CONTENTS