Chemical ID: 5676291

c1cc(c(nc1)N2CCOCC2)N(=O)=O
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

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Descriptor Annotations

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