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Chemical ID: 5259937
Chemical ID:
5259937
Name [?]:
None
SMILES [?]:
CC12c3ccccc3C(=O)C1(OC(O2)(C)OC)c4ccccc4
InChi [?]:
InChI=1/C19H18O4/c1-17-15-12-8-7-11-14(15)16(20)19(17,13-9-5-4-6-10-13)23-18(2,21-3)22-17/h4-12H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,15,17,21,20,22,6,5,19,23,7,4,18,8,3,9,2,13,11,10,16,14,12/E:(5,6)(9,10)/rA:23cCCCCCCCCCOCOCOCOCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d9;s2s9;s11;s12;s2s13;s13;s13;s16;s11;s18;d19;s20;d21;d18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H18O4 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 3 |
ZAP Information [?]
Total: | 8.12328 |
Area: | 458.159 |
Solvation: | -3.33069 |
Coulombic: | -41.476 |
Bond Count [?]
All: | 26 |
Single: | 19 |
Double: | 7 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 310.344 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 3.05 |
LogP (Chemaxon): | 3.52 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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