Chemical ID: 6874792

Cc1ccc2c(c1)c(=O)c(c(o2)c3ccc(cc3)Cl)OC(=O)C(C)C
Chemical ID:
6874792
Name [?]:
[2-(4-chlorophenyl)-6-methyl-4-oxo-chromen-3-yl] 2-methylpropanoate
SMILES [?]:
Cc1ccc2c(c1)c(=O)c(c(o2)c3ccc(cc3)Cl)OC(=O)C(C)C
InChi [?]:
InChI=1/C20H17ClO4/c1-11(2)20(23)25-19-17(22)15-10-12(3)4-9-16(15)24-18(19)13-5-7-14(21)8-6-13/h4-11H,1-3H3
InChi Info:
AuxInfo=1/0/N:24,25,1,3,14,18,15,17,4,7,23,2,13,16,6,5,8,11,10,21,19,9,22,12,20/E:(1,2)(5,6)(7,8)/rA:25nCCCCCCCCOCCOCCCCCCClOCOCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;d10;s5s11;s11;s13;d14;s15;d16;d13s17;s16;s10;s20;d21;s21;s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H17ClO4
All Atoms:42
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:10.9264
Area:539.394
Solvation:-2.55841
Coulombic:-38.2967
Bond Count [?]
All:27
Single:18
Double:9
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:356.799
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:5.35
LogP (Chemaxon):5.29

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Descriptor Annotations

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