ChemDB: Chemical Search
Download
Chemical ID: 6557710
Chemical ID:
6557710
Name [?]:
[4-(trifluoromethoxy)phenyl]carbamoylmethyl naphthalene-1-carboxylate
SMILES [?]:
c1ccc2c(c1)cccc2C(=O)OCC(=O)Nc3ccc(cc3)OC(F)(F)F
InChi [?]:
InChI=1/C20H14F3NO4/c21-20(22,23)28-15-10-8-14(9-11-15)24-18(25)12-27-19(26)17-7-3-5-13-4-1-2-6-16(13)17/h1-11H,12H2,(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,2,8,6,7,3,9,19,23,20,22,14,5,18,21,4,10,15,11,25,26,27,28,17,16,12,13,24/E:(8,9)(10,11)(21,22,23)/rA:28nCCCCCCCCCCCOOCCONCCCCCCOCFFF/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s10;d11;s11;s13;s14;d15;s15;s17;s18;d19;s20;d21;d18s22;s21;s24;s25;s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H14F3NO4 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.6889 |
Area: | 571.054 |
Solvation: | -3.58741 |
Coulombic: | -74.5956 |
Bond Count [?]
All: | 30 |
Single: | 20 |
Double: | 10 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 389.325 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 5.13 |
LogP (Chemaxon): | 4.33 |
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 |
---|