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Chemical ID: 4372342
Chemical ID:
4372342
Name [?]:
(2-morpholino-5-nitro-phenyl)-(p-tolyl)methanone
SMILES [?]:
Cc1ccc(cc1)C(=O)c2cc(ccc2N3CCOCC3)[N+](=O)[O-]
InChi [?]:
InChI=1/C18H18N2O4/c1-13-2-4-14(5-3-13)18(21)16-12-15(20(22)23)6-7-17(16)19-8-10-24-11-9-19/h2-7,12H,8-11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,3,7,4,6,13,14,17,21,18,20,11,2,5,12,10,15,8,16,22,9,23,24,19/E:(2,3)(4,5)(8,9)(10,11)(22,23)/CRV:20.5/rA:24nCCCCCCCCOCCCCCCNCCOCCN+OO-/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;d11;s12;d13;d10s14;s15;s16;s17;s18;s19;s16s20;s12;d22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H18N2O4 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 3.76746 |
Area: | 516.91 |
Solvation: | -9.15528 |
Coulombic: | -34.9047 |
Bond Count [?]
All: | 26 |
Single: | 18 |
Double: | 8 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 326.347 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 3.59 |
LogP (Chemaxon): | 3.61 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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