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Chemical ID: 7712539
Chemical ID:
7712539
Name [?]:
None
SMILES [?]:
c1ccc(c(c1)C(=O)Nc2ccc(cc2)F)NC(=O)N
InChi [?]:
InChI=1/C14H12FN3O2/c15-9-5-7-10(8-6-9)17-13(19)11-3-1-2-4-12(11)18-14(16)20/h1-8H,(H,17,19)(H3,16,18,20)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,12,14,11,15,13,10,5,4,7,18,16,20,9,17,8,19/E:(5,6)(7,8)/rA:20nCCCCCCCONCCCCCCFNCON/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;s10;d11;s12;d13;d10s14;s13;s4;s17;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H12FN3O2 |
All Atoms: | 32 |
Heavy Atoms: | 20 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 7.8679 |
Area: | 444.817 |
Solvation: | -3.25254 |
Coulombic: | -64.2668 |
Bond Count [?]
All: | 21 |
Single: | 13 |
Double: | 8 |
Rotors: | 5 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 1.96 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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