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Chemical ID: 4378701
Chemical ID:
4378701
Name [?]:
1-morpholino-2-(4-nitrophenoxy)-ethanone
SMILES [?]:
c1cc(ccc1[N+](=O)[O-])OCC(=O)N2CCOCC2
InChi [?]:
InChI=1/C12H14N2O5/c15-12(13-5-7-18-8-6-13)9-19-11-3-1-10(2-4-11)14(16)17/h1-4H,5-9H2
InChi Info:
AuxInfo=1/0/N:1,5,2,4,15,19,16,18,11,6,3,12,14,7,13,8,9,17,10/E:(1,2)(3,4)(5,6)(7,8)(16,17)/CRV:14.5/rA:19nCCCCCCN+OO-OCCONCCOCC/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s3;s10;s11;d12;s12;s14;s15;s16;s17;s14s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H14N2O5 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 0.083401 |
Area: | 455.083 |
Solvation: | -11.2937 |
Coulombic: | -41.032 |
Bond Count [?]
All: | 20 |
Single: | 15 |
Double: | 5 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 266.25 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 7 |
XLogP: | 0.62 |
LogP (Chemaxon): | 0.57 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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