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Chemical ID: 7678504
Chemical ID:
7678504
Name [?]:
None
SMILES [?]:
c1ccc(c(c1)Cn2cnc3c(c2=O)nnn3c4ccc(cc4)F)F
InChi [?]:
InChI=1/C17H11F2N5O/c18-12-5-7-13(8-6-12)24-16-15(21-22-24)17(25)23(10-20-16)9-11-3-1-2-4-14(11)19/h1-8,10H,9H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,20,22,19,23,7,9,5,21,18,4,12,11,13,24,25,10,15,16,8,17,14/E:(5,6)(7,8)/rA:25nCCCCCCCNCNCCCONNNCCCCCCFF/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;d9;s10;d11;s8s12;d13;s12;d15;s11s16;s17;s18;d19;s20;d21;d18s22;s21;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H11F2N5O |
All Atoms: | 36 |
Heavy Atoms: | 25 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 9.08678 |
Area: | 499.172 |
Solvation: | -3.39251 |
Coulombic: | -37.133 |
Bond Count [?]
All: | 28 |
Single: | 18 |
Double: | 10 |
Rotors: | 3 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 2.5 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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