ChemDB: Chemical Search
Download
Chemical ID: 4386033
Chemical ID:
4386033
Name [?]:
4-(5-carbamoyl-2-chloro-phenyl)amino-4-oxo-but-2-enoic acid
SMILES [?]:
c1cc(c(cc1C(=O)N)NC(=O)C=CC(=O)O)Cl
InChi [?]:
InChI=1/C11H9ClN2O4/c12-7-2-1-6(11(13)18)5-8(7)14-9(15)3-4-10(16)17/h1-5H,(H2,13,18)(H,14,15)(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,2,13,14,5,6,3,4,11,15,7,18,9,10,12,16,17,8/E:(16,17)/rA:18nCCCCCCCONNCOCCCOOCl/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s4;s10;d11;s11;w13;s14;d15;s15;s3;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H9ClN2O4 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.33905 |
Area: | 439.624 |
Solvation: | -4.65154 |
Coulombic: | -71.6162 |
Bond Count [?]
All: | 18 |
Single: | 11 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 268.653 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 6 |
XLogP: | 0.45 |
LogP (Chemaxon): | 0.1 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|