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Chemical ID: 4825164
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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