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Chemical ID: 6737461
Chemical ID:
6737461
Name [?]:
None
SMILES [?]:
c1cc(c(c(c1)F)N2C(=O)C3C4CC(C3C2=O)C=C4)F
InChi [?]:
InChI=1/C15H11F2NO2/c16-9-2-1-3-10(17)13(9)18-14(19)11-7-4-5-8(6-7)12(11)15(18)20/h1-5,7-8,11-12H,6H2
InChi Info:
AuxInfo=1/0/N:1,2,6,18,19,13,14,12,3,5,15,11,4,16,9,20,7,8,17,10/E:(2,3)(4,5)(7,8)(9,10)(11,12)(14,15)(16,17)(19,20)/rA:20cCCCCCCFNCOCCCCCCOCCF/rB:s1;d2;s3;d4;d1s5;s5;s4;s8;d9;s9;s11;s12;s13;s11s14;s8s15;d16;s14;s12d18;s3;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H11F2NO2 |
All Atoms: | 31 |
Heavy Atoms: | 20 |
Chiral Atoms: | 4 |
ZAP Information [?]
Total: | 6.20111 |
Area: | 401.303 |
Solvation: | -3.83146 |
Coulombic: | -31.967 |
Bond Count [?]
All: | 23 |
Single: | 17 |
Double: | 6 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 275.25 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 2.03 |
LogP (Chemaxon): | 2.05 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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