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Chemical ID: 4567707
Chemical ID:
4567707
Name [?]:
None
SMILES [?]:
Cc1cc(=O)oc2c1cc3c(c2)occ3c4cccc(c4)OC
InChi [?]:
InChI=1/C19H14O4/c1-11-6-19(20)23-18-9-17-15(8-14(11)18)16(10-22-17)12-4-3-5-13(7-12)21-2/h3-10H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,23,18,17,19,3,21,9,12,14,2,16,20,8,10,15,11,7,4,5,22,13,6/rA:23nCCCCOOCCCCCCOCCCCCCCCOC/rB:s1;d2;s3;d4;s4;s6;s2s7;d8;s9;d10;d7s11;s11;s13;s10d14;s15;s16;d17;s18;d19;d16s20;s20;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H14O4 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.8969 |
Area: | 492.953 |
Solvation: | -4.42692 |
Coulombic: | -33.2886 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 306.312 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 3.94 |
LogP (Chemaxon): | 4.59 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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