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Chemical ID: 7744959
Chemical ID:
7744959
Name [?]:
None
SMILES [?]:
c1cc(cc(c1)NS(=O)(=O)c2cc3c4c(c2)CC(=O)N4CCC3)C(F)(F)F
InChi [?]:
InChI=1/C18H15F3N2O3S/c19-18(20,21)13-4-1-5-14(10-13)22-27(25,26)15-7-11-3-2-6-23-16(24)9-12(8-15)17(11)23/h1,4-5,7-8,10,22H,2-3,6,9H2
InChi Info:
AuxInfo=1/0/N:1,22,23,2,6,21,12,16,17,4,13,15,3,5,11,18,14,24,25,26,27,7,20,19,9,10,8/E:(19,20,21)(25,26)/CRV:27.6/rA:27nCCCCCCNSOOCCCCCCCCONCCCCFFF/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;d8;s8;s11;d12;s13;d14;d11s15;s15;s17;d18;s14s18;s20;s21;s13s22;s3;s24;s24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H15F3N2O3S |
All Atoms: | 42 |
Heavy Atoms: | 27 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 9.33721 |
Area: | 530.708 |
Solvation: | -3.93048 |
Coulombic: | -45.057 |
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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