Chemical ID: 5825076

c1cc(c(cc1C(F)(F)F)[N+](=O)[O-])NCCCN2CCOCC2
Chemical ID:
5825076
Name [?]:
N-(3-morpholinopropyl)-2-nitro-4-(trifluoromethyl)aniline
SMILES [?]:
c1cc(c(cc1C(F)(F)F)[N+](=O)[O-])NCCCN2CCOCC2
InChi [?]:
InChI=1/C14H18F3N3O3/c15-14(16,17)11-2-3-12(13(10-11)20(21)22)18-4-1-5-19-6-8-23-9-7-19/h2-3,10,18H,1,4-9H2
InChi Info:
AuxInfo=1/0/N:16,1,2,15,17,19,23,20,22,5,6,3,4,7,8,9,10,14,18,11,12,13,21/E:(6,7)(8,9)(15,16,17)(21,22)/CRV:20.5/rA:23nCCCCCCCFFFN+OO-NCCCNCCOCC/rB:s1;d2;s3;d4;d1s5;s6;s7;s7;s7;s4;d11;s11;s3;s14;s15;s16;s17;s18;s19;s20;s21;s18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H18F3N3O3
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:3.39432
Area:516.156
Solvation:-9.50958
Coulombic:-53.9494
Bond Count [?]
All:24
Single:20
Double:4
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:333.306
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:2.82
LogP (Chemaxon):2.8

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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