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Chemical ID: 6439869
Chemical ID:
6439869
Name [?]:
None
SMILES [?]:
Cc1cc(cc2c1c3ccccc3c(=O)o2)OC
InChi [?]:
InChI=1/C15H12O3/c1-9-7-10(17-2)8-13-14(9)11-5-3-4-6-12(11)15(16)18-13/h3-8H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,18,10,11,9,12,3,5,2,4,8,13,6,7,14,15,17,16/rA:18nCCCCCCCCCCCCCCOOOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s10;d11;d8s12;s13;d14;s6s14;s4;s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H12O3 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.15935 |
Area: | 398.848 |
Solvation: | -2.81185 |
Coulombic: | -27.759 |
Bond Count [?]
All: | 20 |
Single: | 13 |
Double: | 7 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 240.254 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 3.79 |
LogP (Chemaxon): | 3.33 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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