ChemDB: Chemical Search
Download
Chemical ID: 6192087
Chemical ID:
6192087
Name [?]:
2-[2-(2-naphthyloxy)acetyl]aminopropanoic acid
SMILES [?]:
CC(C(=O)O)NC(=O)COc1ccc2ccccc2c1
InChi [?]:
InChI=1/C15H15NO4/c1-10(15(18)19)16-14(17)9-20-13-7-6-11-4-2-3-5-12(11)8-13/h2-8,10H,9H2,1H3,(H,16,17)(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,16,17,15,18,13,12,20,9,2,14,19,11,7,3,6,8,4,5,10/E:(18,19)/rA:20cCCCOONCOCOCCCCCCCCCC/rB:s1;s2;d3;s3;s2;s6;d7;s7;s9;s10;s11;d12;s13;s14;d15;s16;d17;d14s18;d11s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H15NO4 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.39611 |
Area: | 477.636 |
Solvation: | -4.5448 |
Coulombic: | -56.3738 |
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: | 2.28 |
LogP (Chemaxon): | 1.8 |
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 |
---|