Chemical ID: 4372342

Cc1ccc(cc1)C(=O)c2cc(ccc2N3CCOCC3)[N+](=O)[O-]
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

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Descriptor Annotations

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