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Chemical ID: 7678482
Chemical ID:
7678482
Name [?]:
None
SMILES [?]:
Cc1cccc(c1)Cn2cnc3c(c2=O)nnn3c4ccc(cc4)F
InChi [?]:
InChI=1/C18H14FN5O/c1-12-3-2-4-13(9-12)10-23-11-20-17-16(18(23)25)21-22-24(17)15-7-5-14(19)6-8-15/h2-9,11H,10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,4,3,5,21,23,20,24,7,8,10,2,6,22,19,13,12,14,25,11,16,17,9,18,15/E:(5,6)(7,8)/rA:25nCCCCCCCCNCNCCCONNNCCCCCCF/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;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H14FN5O |
All Atoms: | 39 |
Heavy Atoms: | 25 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 9.80587 |
Area: | 519.503 |
Solvation: | -3.18169 |
Coulombic: | -33.0905 |
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: | 2.78 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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