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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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Experimental Annotations
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Descriptor Annotations
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