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Chemical ID: 7702031
Chemical ID:
7702031
Name [?]:
None
SMILES [?]:
c1cc(cc(c1)F)C=NNC(=O)CNC(=O)c2ccc(cc2)F
InChi [?]:
InChI=1/C16H13F2N3O2/c17-13-6-4-12(5-7-13)16(23)19-10-15(22)21-20-9-11-2-1-3-14(18)8-11/h1-9H,10H2,(H,19,23)(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,2,6,18,22,19,21,4,8,13,3,17,20,5,11,15,23,7,14,9,10,12,16/E:(4,5)(6,7)/rA:23nCCCCCCFCNNCOCNCOCCCCCCF/rB:s1;d2;s3;d4;d1s5;s5;s3;w8;s9;s10;d11;s11;s13;s14;d15;s15;s17;d18;s19;d20;d17s21;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H13F2N3O2 |
All Atoms: | 36 |
Heavy Atoms: | 23 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 7.45835 |
Area: | 532.571 |
Solvation: | -5.85591 |
Coulombic: | -47.709 |
Bond Count [?]
All: | 24 |
Single: | 15 |
Double: | 9 |
Rotors: | 7 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.49 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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