Chemical ID: 4701116

CC1(OC(=O)C(=CNC(=O)c2cccnc2Cl)C(=O)O1)C
Chemical ID:
4701116
Name [?]:
2-chloro-N-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]pyridine-3-carboxamide
SMILES [?]:
CC1(OC(=O)C(=CNC(=O)c2cccnc2Cl)C(=O)O1)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C13H11ClN2O5
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:8.23649
Area:481.362
Solvation:-3.79755
Coulombic:-63.5014
Bond Count [?]
All:22
Single:15
Double:7
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:310.69
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:1.69
LogP (Chemaxon):0.97

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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