ChemDB: Chemical Search
Download
Chemical ID: 6049062
Chemical ID:
6049062
Name [?]:
tert-butyl (4-chloro-2-pyridyl)aminoformate
SMILES [?]:
CC(C)(C)OC(=O)Nc1cc(ccn1)Cl
InChi [?]:
InChI=1/C10H13ClN2O2/c1-10(2,3)15-9(14)13-8-6-7(11)4-5-12-8/h4-6H,1-3H3,(H,12,13,14)
InChi Info:
AuxInfo=1/1/N:1,3,4,12,13,10,11,9,6,2,15,14,8,7,5/E:(1,2,3)/rA:15nCCCCOCONCCCCCNCl/rB:s1;s2;s2;s2;s5;d6;s6;s8;s9;d10;s11;d12;d9s13;s11;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H13ClN2O2 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.82855 |
Area: | 403.316 |
Solvation: | -2.25434 |
Coulombic: | -37.4342 |
Bond Count [?]
All: | 15 |
Single: | 11 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 228.675 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.84 |
LogP (Chemaxon): | 2.74 |
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 |
---|