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Chemical ID: 6908632
Chemical ID:
6908632
Name [?]:
2-(2-chlorophenyl)-3-(morpholinocarbonylmethoxy)chromen-4-one
SMILES [?]:
c1ccc2c(c1)c(=O)c(c(o2)c3ccccc3Cl)OCC(=O)N4CCOCC4
InChi [?]:
InChI=1/C21H18ClNO5/c22-16-7-3-1-5-14(16)20-21(19(25)15-6-2-4-8-17(15)28-20)27-13-18(24)23-9-11-26-12-10-23/h1-8H,9-13H2
InChi Info:
AuxInfo=1/0/N:14,1,15,2,13,6,16,3,24,28,25,27,20,12,5,17,4,21,7,10,9,18,23,22,8,26,19,11/E:(9,10)(11,12)/rA:28nCCCCCCCOCCOCCCCCCClOCCONCCOCC/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;d9;s4s10;s10;s12;d13;s14;d15;d12s16;s17;s9;s19;s20;d21;s21;s23;s24;s25;s26;s23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H18ClNO5 |
All Atoms: | 46 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.63818 |
Area: | 581.634 |
Solvation: | -5.90267 |
Coulombic: | -51.0822 |
Bond Count [?]
All: | 31 |
Single: | 22 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 399.824 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 3.41 |
LogP (Chemaxon): | 2.71 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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