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Chemical ID: 7678449
Chemical ID:
7678449
Name [?]:
None
SMILES [?]:
c1cc(cc(c1)F)Cn2cnc3c(c2=O)nnn3c4ccc(cc4)F
InChi [?]:
InChI=1/C17H11F2N5O/c18-12-4-6-14(7-5-12)24-16-15(21-22-24)17(25)23(10-20-16)9-11-2-1-3-13(19)8-11/h1-8,10H,9H2
InChi Info:
AuxInfo=1/0/N:1,2,6,21,23,20,24,4,8,10,3,22,5,19,13,12,14,25,7,11,16,17,9,18,15/E:(4,5)(6,7)/rA:25nCCCCCCFCNCNCCCONNNCCCCCCF/rB:s1;d2;s3;d4;d1s5;s5;s3;s8;s9;d10;s11;d12;s9s13;d14;s13;d16;s12s17;s18;s19;d20;s21;d22;d19s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H11F2N5O |
All Atoms: | 36 |
Heavy Atoms: | 25 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 8.49348 |
Area: | 505.794 |
Solvation: | -4.15137 |
Coulombic: | -36.1872 |
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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