ChemDB: Chemical Search
Download
Chemical ID: 6448053
Chemical ID:
6448053
Name [?]:
4-pyridylmethyl [3-(trifluoromethyl)phenyl]aminoformate
SMILES [?]:
c1cc(cc(c1)NC(=O)OCc2ccncc2)C(F)(F)F
InChi [?]:
InChI=1/C14H11F3N2O2/c15-14(16,17)11-2-1-3-12(8-11)19-13(20)21-9-10-4-6-18-7-5-10/h1-8H,9H2,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,2,6,13,17,14,16,4,11,12,3,5,8,18,19,20,21,15,7,9,10/E:(4,5)(6,7)(15,16,17)/rA:21nCCCCCCNCOOCCCCNCCCFFF/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s8;s10;s11;s12;d13;s14;d15;d12s16;s3;s18;s18;s18;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H11F3N2O2 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.47979 |
Area: | 468.402 |
Solvation: | -3.23026 |
Coulombic: | -56.699 |
Bond Count [?]
All: | 22 |
Single: | 15 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 296.245 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.83 |
LogP (Chemaxon): | 3.34 |
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 |
---|