ChemDB: Chemical Search
Download
Chemical ID: 6725628
Chemical ID:
6725628
Name [?]:
5-(1-naphthylamino)-5-oxo-pentanoate
SMILES [?]:
c1ccc2c(c1)cccc2NC(=O)CCCC(=O)[O-]
InChi [?]:
InChI=1/C15H15NO3/c17-14(9-4-10-15(18)19)16-13-8-3-6-11-5-1-2-7-12(11)13/h1-3,5-8H,4,9-10H2,(H,16,17)(H,18,19)/p-1
InChi Info:
AuxInfo=1/1/N:1,2,8,15,6,7,3,9,14,16,5,4,10,12,17,11,13,18,19/E:(18,19)/rA:19nCCCCCCCCCCNCOCCCCOO-/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s10;s11;d12;s12;s14;s15;s16;d17;s17;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H14NO3- |
All Atoms: | 33 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -33.7481 |
Area: | 456.713 |
Solvation: | -45.1659 |
Coulombic: | -18.9569 |
Bond Count [?]
All: | 20 |
Single: | 13 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 256.277 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 1.79 |
LogP (Chemaxon): | 2.56 |
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 |
---|