Chemical ID: 6902510

CCc1ccc2c(c1)c(=O)c(c(o2)c3ccc(cc3)Cl)OCC(=O)[O-]
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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Descriptor Annotations

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