Chemical ID: 4825164

COC(=O)c1c2cccc3c2c(o1)-c4ccccc4C3=O
Chemical ID:
4825164
Name [?]:
None
SMILES [?]:
COC(=O)c1c2cccc3c2c(o1)-c4ccccc4C3=O
InChi [?]:
InChI=1/C17H10O4/c1-20-17(19)16-12-8-4-7-11-13(12)15(21-16)10-6-3-2-5-9(10)14(11)18/h2-8H,1H3
InChi Info:
AuxInfo=1/0/N:1,17,16,8,18,15,9,7,19,14,10,6,11,20,12,5,3,21,4,2,13/rA:21nCOCOCCCCCCCCOCCCCCCCO/rB:s1;s2;d3;s3;d5;s6;d7;s8;d9;s6s10;d11;s5s12;s12;s14;d15;s16;d17;d14s18;s10s19;d20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H10O4
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:8.25981
Area:440.545
Solvation:-2.7538
Coulombic:-38.8828
Bond Count [?]
All:24
Single:15
Double:9
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:278.259
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.81
LogP (Chemaxon):2.17

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Descriptor Annotations

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