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Chemical ID: 7523498
Chemical ID:
7523498
Name [?]:
None
SMILES [?]:
Cc1ccc2c(c1)c(=O)c3c(o2)C(=O)N(C3c4ccc(cc4)F)c5ccc(cc5)Br
InChi [?]:
InChI=1/C24H15BrFNO3/c1-13-2-11-19-18(12-13)22(28)20-21(14-3-7-16(26)8-4-14)27(24(29)23(20)30-19)17-9-5-15(25)6-10-17/h2-12,21H,1H3
InChi Info:
AuxInfo=1/0/N:1,3,18,22,26,28,19,21,25,29,4,7,2,17,27,20,24,6,5,10,16,8,11,13,30,23,15,9,14,12/E:(3,4)(5,6)(7,8)(9,10)/rA:30cCCCCCCCCOCCOCONCCCCCCCFCCCCCCBr/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;d10;s5s11;s11;d13;s13;s10s15;s16;s17;d18;s19;d20;d17s21;s20;s15;s24;d25;s26;d27;d24s28;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H15BrFNO3 |
All Atoms: | 45 |
Heavy Atoms: | 30 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 10.8145 |
Area: | 586.82 |
Solvation: | -3.85595 |
Coulombic: | -39.8035 |
Bond Count [?]
All: | 34 |
Single: | 22 |
Double: | 12 |
Rotors: | 2 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 5.38 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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Chemical Mix | Source | External ID | Descriptor | Value |
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