Chemical ID: 4778185

Cc1ccc(cc1)CNC(=O)C=CC(=O)O
Chemical ID:
4778185
Name [?]:
4-oxo-4-(p-tolylmethylamino)but-2-enoic acid
SMILES [?]:
Cc1ccc(cc1)CNC(=O)C=CC(=O)O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C12H13NO3
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:6.84547
Area:416.163
Solvation:-3.55859
Coulombic:-47.4422
Bond Count [?]
All:16
Single:10
Double:6
Rotors:5
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:219.237
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:1.52
LogP (Chemaxon):1.67

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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