ChemDB: Chemical Search
Download
Chemical ID: 7007096
Chemical ID:
7007096
Name [?]:
2-[(4-ethoxy-1-naphthyl)carbonylamino]acetic acid
SMILES [?]:
CCOc1ccc(c2c1cccc2)C(=O)NCC(=O)O
InChi [?]:
InChI=1/C15H15NO4/c1-2-20-13-8-7-12(15(19)16-9-14(17)18)10-5-3-4-6-11(10)13/h3-8H,2,9H2,1H3,(H,16,19)(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,2,12,11,13,10,6,5,17,8,9,7,4,18,14,16,19,20,15,3/E:(17,18)/rA:20nCCOCCCCCCCCCCCONCCOO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;d10;s11;s8d12;s7;d14;s14;s16;s17;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H15NO4 |
All Atoms: | 35 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.15333 |
Area: | 469.652 |
Solvation: | -3.58798 |
Coulombic: | -57.0215 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 273.284 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 2.41 |
LogP (Chemaxon): | 1.58 |
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 |
---|