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Chemical ID: 7520906
Chemical ID:
7520906
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)c(=O)c3c(o2)C(=O)N(C3c4ccc(cc4)Cl)c5cccc(c5)C(F)(F)F
InChi [?]:
InChI=1/C24H13ClF3NO3/c25-15-10-8-13(9-11-15)20-19-21(30)17-6-1-2-7-18(17)32-22(19)23(31)29(20)16-5-3-4-14(12-16)24(26,27)28/h1-12,20H
InChi Info:
AuxInfo=1/0/N:1,2,25,26,24,6,3,17,21,18,20,28,16,27,19,23,5,4,9,15,7,10,12,29,22,30,31,32,14,8,13,11/E:(8,9)(10,11)(26,27,28)/rA:32cCCCCCCCOCCOCONCCCCCCCClCCCCCCCFFF/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;d9;s4s10;s10;d12;s12;s9s14;s15;s16;d17;s18;d19;d16s20;s19;s14;s23;d24;s25;d26;d23s27;s27;s29;s29;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H13ClF3NO3 |
All Atoms: | 45 |
Heavy Atoms: | 32 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 11.4442 |
Area: | 609.524 |
Solvation: | -3.79388 |
Coulombic: | -55.4208 |
Bond Count [?]
All: | 36 |
Single: | 24 |
Double: | 12 |
Rotors: | 3 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 5.53 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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