Chemical ID: 6847005

Cc1cc(c2c(c1)c(=O)c(c(o2)c3ccccc3Cl)OCC(=O)[O-])C
Chemical ID:
6847005
Name [?]:
2-[2-(2-chlorophenyl)-6,8-dimethyl-4-oxo-chromen-3-yl]oxyacetate
SMILES [?]:
Cc1cc(c2c(c1)c(=O)c(c(o2)c3ccccc3Cl)OCC(=O)[O-])C
InChi [?]:
InChI=1/C19H15ClO5/c1-10-7-11(2)17-13(8-10)16(23)19(24-9-15(21)22)18(25-17)12-5-3-4-6-14(12)20/h3-8H,9H2,1-2H3,(H,21,22)/p-1
InChi Info:
AuxInfo=1/1/N:1,25,15,16,14,17,3,7,21,2,4,13,6,18,22,8,5,11,10,19,23,24,9,20,12/E:(21,22)/rA:25nCCCCCCCCOCCOCCCCCCClOCCOO-C/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;d10;s5s11;s11;s13;d14;s15;d16;d13s17;s18;s10;s20;s21;d22;s22;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H14ClO5-
All Atoms:39
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:-32.0115
Area:528.823
Solvation:-45.2321
Coulombic:-27.9375
Bond Count [?]
All:27
Single:18
Double:9
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:357.764
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.06
LogP (Chemaxon):4.36

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Descriptor Annotations

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