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Chemical ID: 7700630
Chemical ID:
7700630
Name [?]:
None
SMILES [?]:
COc1cc(ccc1OC(=O)c2ccc(cc2)Cl)C(=O)OC
InChi [?]:
InChI=1/C16H13ClO5/c1-20-14-9-11(15(18)21-2)5-8-13(14)22-16(19)10-3-6-12(17)7-4-10/h3-9H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,22,13,17,6,14,16,7,4,12,5,15,8,3,19,10,18,20,11,2,21,9/E:(3,4)(6,7)/rA:22nCOCCCCCCOCOCCCCCCClCOOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s12;d13;s14;d15;d12s16;s15;s5;d19;s19;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H13ClO5 |
All Atoms: | 35 |
Heavy Atoms: | 22 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 9.62401 |
Area: | 524.969 |
Solvation: | -3.50022 |
Coulombic: | -48.4073 |
Bond Count [?]
All: | 23 |
Single: | 15 |
Double: | 8 |
Rotors: | 6 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.73 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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