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Chemical ID: 7678490
Chemical ID:
7678490
Name [?]:
None
SMILES [?]:
Cc1ccc(c(c1)Cn2cnc3c(c2=O)nnn3c4ccc(cc4)F)C
InChi [?]:
InChI=1/C19H16FN5O/c1-12-3-4-13(2)14(9-12)10-24-11-21-18-17(19(24)26)22-23-25(18)16-7-5-15(20)6-8-16/h3-9,11H,10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,26,3,4,21,23,20,24,7,8,10,2,5,6,22,19,13,12,14,25,11,16,17,9,18,15/E:(5,6)(7,8)/rA:26nCCCCCCCCNCNCCCONNNCCCCCCFC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;d10;s11;d12;s9s13;d14;s13;d16;s12s17;s18;s19;d20;s21;d22;d19s23;s22;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H16FN5O |
All Atoms: | 42 |
Heavy Atoms: | 26 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 10.0765 |
Area: | 529.049 |
Solvation: | -3.14976 |
Coulombic: | -32.7975 |
Bond Count [?]
All: | 29 |
Single: | 19 |
Double: | 10 |
Rotors: | 3 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.21 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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