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Chemical ID: 7722063
Chemical ID:
7722063
Name [?]:
None
SMILES [?]:
COc1ccc(cc1F)C(=O)C2=C(C(=O)N(C2c3cccc(c3)Br)CCCO)O
InChi [?]:
InChI=1/C21H19BrFNO5/c1-29-16-7-6-13(11-15(16)23)19(26)17-18(12-4-2-5-14(22)10-12)24(8-3-9-25)21(28)20(17)27/h2,4-7,10-11,18,25,27H,3,8-9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,20,26,19,21,5,4,25,27,23,7,18,6,22,8,3,12,17,10,13,14,24,9,16,28,11,29,15,2/rA:29cCOCCCCCCFCOCCCONCCCCCCCBrCCCOO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s6;d10;s10;d12;s13;d14;s14;s12s16;s17;s18;d19;s20;d21;d18s22;s22;s16;s25;s26;s27;s13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H19BrFNO5 |
All Atoms: | 48 |
Heavy Atoms: | 29 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 8.18103 |
Area: | 629.015 |
Solvation: | -7.54434 |
Coulombic: | -69.811 |
Bond Count [?]
All: | 31 |
Single: | 22 |
Double: | 9 |
Rotors: | 7 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.72 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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