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Chemical ID: 7744917
Chemical ID:
7744917
Name [?]:
None
SMILES [?]:
c1cc(ccc1C(F)(F)F)NS(=O)(=O)c2cc3c4c(c2)CC(=O)N4CCC3
InChi [?]:
InChI=1/C18H15F3N2O3S/c19-18(20,21)13-3-5-14(6-4-13)22-27(25,26)15-8-11-2-1-7-23-16(24)10-12(9-15)17(11)23/h3-6,8-9,22H,1-2,7,10H2
InChi Info:
AuxInfo=1/0/N:26,27,1,5,2,4,25,16,20,21,17,19,6,3,15,22,18,7,8,9,10,11,24,23,13,14,12/E:(3,4)(5,6)(19,20,21)(25,26)/CRV:27.6/rA:27nCCCCCCCFFFNSOOCCCCCCCCONCCC/rB:s1;d2;s3;d4;d1s5;s6;s7;s7;s7;s3;s11;d12;d12;s12;s15;d16;s17;d18;d15s19;s19;s21;d22;s18s22;s24;s25;s17s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H15F3N2O3S |
All Atoms: | 42 |
Heavy Atoms: | 27 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 9.32776 |
Area: | 531.4 |
Solvation: | -3.95724 |
Coulombic: | -45.1822 |
Bond Count [?]
All: | 30 |
Single: | 21 |
Double: | 9 |
Rotors: | 4 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 2.75 |
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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