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Chemical ID: 5202756

Chemical ID:

5202756

Name [?]:

4-[2-(2-methyl-4-nitro-imidazol-1-yl)ethyl]morpholine

SMILES [?]:

Cc1nc(cn1CCN2CCOCC2)[N+](=O)[O-]

InChi [?]:

InChI=1/C10H16N4O3/c1-9-11-10(14(15)16)8-13(9)3-2-12-4-6-17-7-5-12/h8H,2-7H2,1H3

InChi Info:

AuxInfo=1/0/N:1,8,7,10,14,11,13,5,2,4,3,9,6,15,16,17,12/E:(4,5)(6,7)(15,16)/CRV:14.5/rA:17nCCNCCNCCNCCOCCN+OO-/rB:s1;d2;s3;d4;s2s5;s6;s7;s8;s9;s10;s11;s12;s9s13;s4;d15;s15;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₀H₁₆N₄O₃
All Atoms:	17
Heavy Atoms:	17
Chiral Atoms:	0

ZAP Information [?]

Total:	3.43265
Area:	426.628
Solvation:	-7.23305
Coulombic:	-40.3245

Bond Count [?]

All:	18
Single:	15
Double:	3
Rotors:	4
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	240.259
H-Bond Donors:	0
H-Bond Acceptors:	5
XLogP:	0.21
LogP (Chemaxon):	0.57

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value