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Chemical ID: 7678417
Chemical ID:
7678417
Name [?]:
None
SMILES [?]:
c1ccc(cc1)CNC(=O)Cn2cnc3c(c2=O)nnn3c4ccc(cc4)F
InChi [?]:
InChI=1/C19H15FN6O2/c20-14-6-8-15(9-7-14)26-18-17(23-24-26)19(28)25(12-22-18)11-16(27)21-10-13-4-2-1-3-5-13/h1-9,12H,10-11H2,(H,21,27)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,24,26,23,27,7,11,13,4,25,22,9,16,15,17,28,8,14,19,20,12,21,10,18/E:(2,3)(4,5)(6,7)(8,9)/rA:28nCCCCCCCNCOCNCNCCCONNNCCCCCCF/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;s11;s12;d13;s14;d15;s12s16;d17;s16;d19;s15s20;s21;s22;d23;s24;d25;d22s26;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H15FN6O2 |
All Atoms: | 43 |
Heavy Atoms: | 28 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 10.0283 |
Area: | 588.937 |
Solvation: | -4.69514 |
Coulombic: | -53.0526 |
Bond Count [?]
All: | 31 |
Single: | 20 |
Double: | 11 |
Rotors: | 6 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 1.51 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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