Chemical ID: 6908632

c1ccc2c(c1)c(=O)c(c(o2)c3ccccc3Cl)OCC(=O)N4CCOCC4
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

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