Chemical ID: 4726130

Cc1cc(c(c(c1)[N+](=O)[O-])N2CC(OC(C2)C)C)[N+](=O)[O-]
Chemical ID:
4726130
Name [?]:
2,6-dimethyl-4-(4-methyl-2,6-dinitro-phenyl)-morpholine
SMILES [?]:
Cc1cc(c(c(c1)[N+](=O)[O-])N2CC(OC(C2)C)C)[N+](=O)[O-]
InChi [?]:
InChI=1/C13H17N3O5/c1-8-4-11(15(17)18)13(12(5-8)16(19)20)14-6-9(2)21-10(3)7-14/h4-5,9-10H,6-7H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,17,18,3,7,16,12,2,15,13,4,6,5,11,19,8,20,21,9,10,14/E:(2,3)(4,5)(6,7)(9,10)(11,12)(15,16)(17,18,19,20)/CRV:15.5,16.5/rA:21cCCCCCCCN+OO-NCCOCCCCN+OO-/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;s5;s11;s12;s13;s14;s11s15;s15;s13;s4;d19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H17N3O5
All Atoms:21
Heavy Atoms:21
Chiral Atoms:2
ZAP Information [?]
Total:-3.86502
Area:450.023
Solvation:-15.1156
Coulombic:-33.4002
Bond Count [?]
All:22
Single:17
Double:5
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:295.291
H-Bond Donors:0
H-Bond Acceptors:8
XLogP:2.73
LogP (Chemaxon):3.17

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Descriptor Annotations

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