Chemical ID: 4279323

CCOc1ccc(cc1)NC(=O)C=CC(=O)O
Chemical ID:
4279323
Name [?]:
4-(4-ethoxyphenyl)amino-4-oxo-but-2-enoic acid
SMILES [?]:
CCOc1ccc(cc1)NC(=O)C=CC(=O)O
InChi [?]:
InChI=1/C12H13NO4/c1-2-17-10-5-3-9(4-6-10)13-11(14)7-8-12(15)16/h3-8H,2H2,1H3,(H,13,14)(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,2,6,8,5,9,13,14,7,4,11,15,10,12,16,17,3/E:(3,4)(5,6)(15,16)/rA:17nCCOCCCCCCNCOCCCOO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;w13;s14;d15;s15;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H13NO4
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:5.92654
Area:425.325
Solvation:-4.70659
Coulombic:-53.264
Bond Count [?]
All:17
Single:11
Double:6
Rotors:6
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:235.236
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:1.28
LogP (Chemaxon):1.67

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Descriptor Annotations

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