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Chemical ID: 4231268
Chemical ID:
4231268
Name [?]:
None
SMILES [?]:
CCc1cc(=O)oc2c1cc3c(c2)occ3c4ccccc4
InChi [?]:
InChI=1/C19H14O3/c1-2-12-8-19(20)22-18-10-17-15(9-14(12)18)16(11-21-17)13-6-4-3-5-7-13/h3-11H,2H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,20,19,21,18,22,4,10,13,15,3,17,9,11,16,12,8,5,6,14,7/E:(4,5)(6,7)/rA:22nCCCCCOOCCCCCCOCCCCCCCC/rB:s1;s2;d3;s4;d5;s5;s7;s3s8;d9;s10;d11;d8s12;s12;s14;s11d15;s16;s17;d18;s19;d20;d17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H14O3 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.82264 |
Area: | 472.374 |
Solvation: | -2.98672 |
Coulombic: | -27.5592 |
Bond Count [?]
All: | 25 |
Single: | 16 |
Double: | 9 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 290.313 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 4.49 |
LogP (Chemaxon): | 5.24 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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