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Chemical ID: 4215093
Chemical ID:
4215093
Name [?]:
morpholino-(3,4,5-trimethoxyphenyl)-methanone
SMILES [?]:
COc1cc(cc(c1OC)OC)C(=O)N2CCOCC2
InChi [?]:
InChI=1/C14H19NO5/c1-17-11-8-10(9-12(18-2)13(11)19-3)14(16)15-4-6-20-7-5-15/h8-9H,4-7H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,12,10,16,20,17,19,4,6,5,3,7,8,13,15,14,2,11,9,18/E:(1,2)(4,5)(6,7)(8,9)(11,12)(17,18)/rA:20nCOCCCCCCOCOCCONCCOCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s7;s11;s5;d13;s13;s15;s16;s17;s18;s15s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H19NO5 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 3.92587 |
Area: | 457.165 |
Solvation: | -7.50324 |
Coulombic: | -45.1735 |
Bond Count [?]
All: | 21 |
Single: | 17 |
Double: | 4 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 281.304 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 0.51 |
LogP (Chemaxon): | 0.09 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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