Chemical ID: 4422444

COc1ccc(cc1NC(=O)C=CC(=O)O)Cl
Chemical ID:
4422444
Name [?]:
4-(5-chloro-2-methoxy-phenyl)amino-4-oxo-but-2-enoic acid
SMILES [?]:
COc1ccc(cc1NC(=O)C=CC(=O)O)Cl
InChi [?]:
InChI=1/C11H10ClNO4/c1-17-9-3-2-7(12)6-8(9)13-10(14)4-5-11(15)16/h2-6H,1H3,(H,13,14)(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,5,4,12,13,7,6,8,3,10,14,17,9,11,15,16,2/E:(15,16)/rA:17nCOCCCCCCNCOCCCOOCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;w12;s13;d14;s14;s6;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H10ClNO4
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:6.20598
Area:427.969
Solvation:-4.49325
Coulombic:-53.8651
Bond Count [?]
All:17
Single:11
Double:6
Rotors:5
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:255.654
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:1.48
LogP (Chemaxon):1.85

Name Annotations

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Descriptor Annotations

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