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Chemical ID: 5610301

Chemical ID:

5610301

Name [?]:

4-(2-butoxy-4-nitro-phenyl)morpholine

SMILES [?]:

CCCCOc1cc(ccc1N2CCOCC2)[N+](=O)[O-]

InChi [?]:

InChI=1/C14H20N2O4/c1-2-3-8-20-14-11-12(16(17)18)4-5-13(14)15-6-9-19-10-7-15/h4-5,11H,2-3,6-10H2,1H3

InChi Info:

AuxInfo=1/0/N:1,2,3,9,10,13,17,4,14,16,7,8,11,6,12,18,19,20,15,5/E:(6,7)(9,10)(17,18)/CRV:16.5/rA:20nCCCCOCCCCCCNCCOCCN+OO-/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s11;s12;s13;s14;s15;s12s16;s8;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₄H₂₀N₂O₄
All Atoms:	20
Heavy Atoms:	20
Chiral Atoms:	0

ZAP Information [?]

Total:	2.6394
Area:	487.101
Solvation:	-9.53812
Coulombic:	-32.5826

Bond Count [?]

All:	21
Single:	17
Double:	4
Rotors:	6
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	280.32
H-Bond Donors:	0
H-Bond Acceptors:	6
XLogP:	2.86
LogP (Chemaxon):	2.88

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value