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Chemical ID: 5676291
Chemical ID:
5676291
Name [?]:
4-(3-nitro-2-pyridyl)morpholine
SMILES [?]:
c1cc(c(nc1)N2CCOCC2)N(=O)=O
InChi [?]:
InChI=1/C9H11N3O3/c13-12(14)8-2-1-3-10-9(8)11-4-6-15-7-5-11/h1-3H,4-7H2
InChi Info:
AuxInfo=1/0/N:1,2,6,8,12,9,11,3,4,5,7,13,14,15,10/E:(4,5)(6,7)(13,14)/CRV:12.5/rA:15nCCCCNCNCCOCCNOO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s7s11;s3;d13;d13;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H11N3O3 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 0.625295 |
Area: | 356.65 |
Solvation: | -8.29095 |
Coulombic: | -32.0235 |
Bond Count [?]
All: | 16 |
Single: | 11 |
Double: | 5 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 209.202 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 1.2 |
LogP (Chemaxon): | 1.31 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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