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Chemical ID: 6049286
Chemical ID:
6049286
Name [?]:
tert-butyl (4-methoxy-2-pyridyl)aminoformate
SMILES [?]:
CC(C)(C)OC(=O)Nc1cc(ccn1)OC
InChi [?]:
InChI=1/C11H16N2O3/c1-11(2,3)16-10(14)13-9-7-8(15-4)5-6-12-9/h5-7H,1-4H3,(H,12,13,14)
InChi Info:
AuxInfo=1/1/N:1,3,4,16,12,13,10,11,9,6,2,14,8,7,15,5/E:(1,2,3)/rA:16nCCCCOCONCCCCCNOC/rB:s1;s2;s2;s2;s5;d6;s6;s8;s9;d10;s11;d12;d9s13;s11;s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H16N2O3 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.65414 |
Area: | 405.385 |
Solvation: | -3.48047 |
Coulombic: | -43.8277 |
Bond Count [?]
All: | 16 |
Single: | 12 |
Double: | 4 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 224.256 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 2.14 |
LogP (Chemaxon): | 1.97 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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