Chemical ID: 6740245

Cc1ccc(c(c1)NC(=O)C=CC(=O)[O-])O
Chemical ID:
6740245
Name [?]:
4-(2-hydroxy-5-methyl-phenyl)amino-4-oxo-but-2-enoate
SMILES [?]:
Cc1ccc(c(c1)NC(=O)C=CC(=O)[O-])O
InChi [?]:
InChI=1/C11H11NO4/c1-7-2-3-9(13)8(6-7)12-10(14)4-5-11(15)16/h2-6,13H,1H3,(H,12,14)(H,15,16)/p-1
InChi Info:
AuxInfo=1/1/N:1,3,4,11,12,7,2,6,5,9,13,8,16,10,14,15/E:(15,16)/rA:16nCCCCCCCNCOCCCOO-O/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;w11;s12;d13;s13;s5;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H10NO4-
All Atoms:26
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:-36.5677
Area:391.385
Solvation:-46.3523
Coulombic:-34.3891
Bond Count [?]
All:16
Single:10
Double:6
Rotors:4
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:220.201
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:0.92
LogP (Chemaxon):1.77

Name Annotations

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Descriptor Annotations

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