ChemDB: Chemical Search
Download
Chemical ID: 7330895
Chemical ID:
7330895
Name [?]:
1-naphthylcarbamoylmethyl 2,4-dihydroxybenzoate
SMILES [?]:
c1ccc2c(c1)cccc2NC(=O)COC(=O)c3ccc(cc3O)O
InChi [?]:
InChI=1/C19H15NO5/c21-13-8-9-15(17(22)10-13)19(24)25-11-18(23)20-16-7-3-5-12-4-1-2-6-14(12)16/h1-10,21-22H,11H2,(H,20,23)
InChi Info:
AuxInfo=1/1/N:1,2,8,6,7,3,9,20,19,22,14,5,21,4,18,10,23,12,16,11,25,24,13,17,15/rA:25nCCCCCCCCCCNCOCOCOCCCCCCOO/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s10;s11;d12;s12;s14;s15;d16;s16;s18;d19;s20;d21;d18s22;s23;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H15NO5 |
All Atoms: | 40 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.2879 |
Area: | 543.976 |
Solvation: | -5.31151 |
Coulombic: | -72.6182 |
Bond Count [?]
All: | 27 |
Single: | 17 |
Double: | 10 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 337.326 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 6 |
XLogP: | 4.13 |
LogP (Chemaxon): | 3.76 |
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 |
---|