Chemical ID: 4169743

Cc1cccc(c1NC(=O)C=CC(=O)O)C
Chemical ID:
4169743
Name [?]:
4-(2,6-dimethylphenyl)amino-4-oxo-but-2-enoic acid
SMILES [?]:
Cc1cccc(c1NC(=O)C=CC(=O)O)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C12H13NO3
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:5.98261
Area:387.9
Solvation:-3.7149
Coulombic:-45.9903
Bond Count [?]
All:16
Single:10
Double:6
Rotors:4
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:219.237
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:1.39
LogP (Chemaxon):1.22

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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