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Chemical ID: 6902510
Chemical ID:
6902510
Name [?]:
2-[2-(4-chlorophenyl)-6-ethyl-4-oxo-chromen-3-yl]oxyacetate
SMILES [?]:
CCc1ccc2c(c1)c(=O)c(c(o2)c3ccc(cc3)Cl)OCC(=O)[O-]
InChi [?]:
InChI=1/C19H15ClO5/c1-2-11-3-8-15-14(9-11)17(23)19(24-10-16(21)22)18(25-15)12-4-6-13(20)7-5-12/h3-9H,2,10H2,1H3,(H,21,22)/p-1
InChi Info:
AuxInfo=1/1/N:1,2,4,15,19,16,18,5,8,22,3,14,17,7,6,23,9,12,11,20,24,25,10,21,13/E:(4,5)(6,7)(21,22)/rA:25nCCCCCCCCCOCCOCCCCCCClOCCOO-/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;d9;s9;d11;s6s12;s12;s14;d15;s16;d17;d14s18;s17;s11;s21;s22;d23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H14ClO5- |
All Atoms: | 39 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -31.4726 |
Area: | 553.568 |
Solvation: | -45.3118 |
Coulombic: | -28.4532 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 357.764 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 4.3 |
LogP (Chemaxon): | 4.29 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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