ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 6339485

Chemical ID:

6339485

Name [?]:

4-(3-nitrophenyl)morpholine

SMILES [?]:

c1cc(cc(c1)[N+](=O)[O-])N2CCOCC2

InChi [?]:

InChI=1/C10H12N2O3/c13-12(14)10-3-1-2-9(8-10)11-4-6-15-7-5-11/h1-3,8H,4-7H2

InChi Info:

AuxInfo=1/0/N:1,2,6,11,15,12,14,4,3,5,10,7,8,9,13/E:(4,5)(6,7)(13,14)/CRV:12.5/rA:15nCCCCCCN+OO-NCCOCC/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s3;s10;s11;s12;s13;s10s14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₀H₁₂N₂O₃
All Atoms:	15
Heavy Atoms:	15
Chiral Atoms:	0

ZAP Information [?]

Total:	1.44786
Area:	371.727
Solvation:	-7.8453
Coulombic:	-26.3581

Bond Count [?]

All:	16
Single:	12
Double:	4
Rotors:	2
Chiral:	0
Rigid Segments:	3

Chemical Properties

Molecular Weight:	208.214
H-Bond Donors:	0
H-Bond Acceptors:	5
XLogP:	1.6
LogP (Chemaxon):	1.92

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

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value