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Chemical ID: 4567744
Chemical ID:
4567744
Name [?]:
None
SMILES [?]:
Cc1c(c(=O)oc2c1cc3c(coc3c2C)c4cccc(c4)OC)C
InChi [?]:
InChI=1/C21H18O4/c1-11-12(2)21(22)25-20-13(3)19-17(9-16(11)20)18(10-24-19)14-6-5-7-15(8-14)23-4/h5-10H,1-4H3
InChi Info:
AuxInfo=1/0/N:1,25,16,24,19,18,20,22,9,12,2,3,15,17,21,8,10,11,14,7,4,5,23,13,6/rA:25nCCCCOOCCCCCCOCCCCCCCCCOCC/rB:s1;d2;s3;d4;s4;s6;s2s7;d8;s9;s10;d11;s12;d10s13;d7s14;s15;s11;s17;d18;s19;d20;d17s21;s21;s23;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H18O4 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.98375 |
Area: | 527.539 |
Solvation: | -4.20473 |
Coulombic: | -33.9038 |
Bond Count [?]
All: | 28 |
Single: | 19 |
Double: | 9 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 334.365 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 4.31 |
LogP (Chemaxon): | 5.53 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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