Chemical ID: 7156161

CC(=O)c1ccc(c(c1)NC(=O)C=CC(=O)O)OC
Chemical ID:
7156161
Name [?]:
4-(5-acetyl-2-methoxy-phenyl)amino-4-oxo-but-2-enoic acid
SMILES [?]:
CC(=O)c1ccc(c(c1)NC(=O)C=CC(=O)O)OC
InChi [?]:
InChI=1/C13H13NO5/c1-8(15)9-3-4-11(19-2)10(7-9)14-12(16)5-6-13(17)18/h3-7H,1-2H3,(H,14,16)(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,19,5,6,13,14,9,2,4,8,7,11,15,10,3,12,16,17,18/E:(17,18)/rA:19nCCOCCCCCCNCOCCCOOOC/rB:s1;d2;s2;s4;d5;s6;d7;d4s8;s8;s10;d11;s11;w13;s14;d15;s15;s7;s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H13NO5
All Atoms:32
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:4.94407
Area:442.339
Solvation:-6.1144
Coulombic:-59.7917
Bond Count [?]
All:19
Single:12
Double:7
Rotors:6
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:263.246
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:0.7
LogP (Chemaxon):0.64

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Descriptor Annotations

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