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Chemical ID: 4523682
Chemical ID:
4523682
Name [?]:
None
SMILES [?]:
Cc1cc(=O)oc2c1cc3c(coc3c2C)C
InChi [?]:
InChI=1/C14H12O3/c1-7-4-12(15)17-14-9(3)13-11(5-10(7)14)8(2)6-16-13/h4-6H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,17,16,3,9,12,2,11,15,8,10,4,14,7,5,13,6/rA:17nCCCCOOCCCCCCOCCCC/rB:s1;d2;s3;d4;s4;s6;s2s7;d8;s9;s10;d11;s12;d10s13;d7s14;s15;s11;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H12O3 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.00665 |
Area: | 392.383 |
Solvation: | -2.80294 |
Coulombic: | -25.3827 |
Bond Count [?]
All: | 19 |
Single: | 13 |
Double: | 6 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 228.243 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 2.54 |
LogP (Chemaxon): | 4.09 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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