Chemical ID: 6874790

CCC(=O)Oc1c(=O)c2cc(ccc2oc1c3ccc(cc3)Cl)C
Chemical ID:
6874790
Name [?]:
[2-(4-chlorophenyl)-6-methyl-4-oxo-chromen-3-yl] propanoate
SMILES [?]:
CCC(=O)Oc1c(=O)c2cc(ccc2oc1c3ccc(cc3)Cl)C
InChi [?]:
InChI=1/C19H15ClO4/c1-3-16(21)24-19-17(22)14-10-11(2)4-9-15(14)23-18(19)12-5-7-13(20)8-6-12/h4-10H,3H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,24,2,12,18,22,19,21,13,10,11,17,20,9,14,3,7,16,6,23,4,8,15,5/E:(5,6)(7,8)/rA:24nCCCOOCCOCCCCCCOCCCCCCCClC/rB:s1;s2;d3;s3;s5;s6;d7;s7;s9;d10;s11;d12;d9s13;s14;d6s15;s16;s17;d18;s19;d20;d17s21;s20;s11;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H15ClO4
All Atoms:39
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:10.7237
Area:534.601
Solvation:-2.64134
Coulombic:-37.5678
Bond Count [?]
All:26
Single:17
Double:9
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:342.773
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:5.05
LogP (Chemaxon):4.73

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Descriptor Annotations

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