Chemical ID: 6706312

CCc1cccc(c1NC(=O)C=CC(=O)[O-])C
Chemical ID:
6706312
Name [?]:
4-(2-ethyl-6-methyl-phenyl)amino-4-oxo-but-2-enoate
SMILES [?]:
CCc1cccc(c1NC(=O)C=CC(=O)[O-])C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C13H14NO3-
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:-36.4221
Area:393.072
Solvation:-46.2489
Coulombic:-17.4202
Bond Count [?]
All:17
Single:11
Double:6
Rotors:5
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:232.255
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:1.38
LogP (Chemaxon):1.61

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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