Chemical ID: 6874802

Cc1ccc2c(c1)c(=O)c(c(o2)c3ccc(cc3)Cl)OC(=O)C4CCCO4
Chemical ID:
6874802
Name [?]:
[2-(4-chlorophenyl)-6-methyl-4-oxo-chromen-3-yl] tetrahydrofuran-2-carboxylate
SMILES [?]:
Cc1ccc2c(c1)c(=O)c(c(o2)c3ccc(cc3)Cl)OC(=O)C4CCCO4
InChi [?]:
InChI=1/C21H17ClO5/c1-12-4-9-16-15(11-12)18(23)20(27-21(24)17-3-2-10-25-17)19(26-16)13-5-7-14(22)8-6-13/h4-9,11,17H,2-3,10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,25,24,3,14,18,15,17,4,26,7,2,13,16,6,5,23,8,11,10,21,19,9,22,27,12,20/E:(5,6)(7,8)/rA:27cCCCCCCCCOCCOCCCCCCClOCOCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;d10;s5s11;s11;s13;d14;s15;d16;d13s17;s16;s10;s20;d21;s21;s23;s24;s25;s23s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H17ClO5
All Atoms:44
Heavy Atoms:27
Chiral Atoms:1
ZAP Information [?]
Total:10.2855
Area:578.284
Solvation:-4.1716
Coulombic:-46.736
Bond Count [?]
All:30
Single:21
Double:9
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:384.809
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.89
LogP (Chemaxon):4.35

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Descriptor Annotations

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