ChemDB: Chemical Search
Download
Chemical ID: 4245827
Chemical ID:
4245827
Name [?]:
methyl 4-(2-ethoxyacetyl)aminobenzoate
SMILES [?]:
CCOCC(=O)Nc1ccc(cc1)C(=O)OC
InChi [?]:
InChI=1/C12H15NO4/c1-3-17-8-11(14)13-10-6-4-9(5-7-10)12(15)16-2/h4-7H,3,8H2,1-2H3,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,17,2,10,12,9,13,4,11,8,5,14,7,6,15,16,3/E:(4,5)(6,7)/rA:17nCCOCCONCCCCCCCOOC/rB:s1;s2;s3;s4;d5;s5;s7;s8;d9;s10;d11;d8s12;s11;d14;s14;s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H15NO4 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.18764 |
Area: | 445.693 |
Solvation: | -4.95469 |
Coulombic: | -47.2943 |
Bond Count [?]
All: | 17 |
Single: | 12 |
Double: | 5 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 237.252 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 1.12 |
LogP (Chemaxon): | 0.98 |
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 |
---|