CID 47391201
PubChem CID
47391201
Structure
Molecular Formula
Status
Non-live
Molecular Weight
302.78 g/mol
Dates
- Create:2010-11-26
Chemical Structure Depiction
4-chloro-N-(1,1-dioxothiolan-3-yl)-N-prop-2-enyl-1H-pyrrole-2-carboxamide
InChI=1S/C12H15ClN2O3S/c1-2-4-15(10-3-5-19(17,18)8-10)12(16)11-6-9(13)7-14-11/h2,6-7,10,14H,1,3-5,8H2
VVCXTPXJFHRUJO-UHFFFAOYSA-N
C=CCN(C1CCS(=O)(=O)C1)C(=O)C2=CC(=CN2)Cl
C12H15ClN2O3S
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
302.78 g/mol
Property Name
XLogP3-AA
Property Value
1.3
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
3
Property Name
Rotatable Bond Count
Property Value
4
Property Name
Exact Mass
Property Value
302.0491912 g/mol
Property Name
Monoisotopic Mass
Property Value
302.0491912 g/mol
Property Name
Topological Polar Surface Area
Property Value
78.6 A^2
Property Name
Heavy Atom Count
Property Value
19
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
460
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
1
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
CONTENTS