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Chemical ID: 7679062
Chemical ID:
7679062
Name [?]:
None
SMILES [?]:
COc1cccc(c1)n2c3c(c(=O)n(cn3)Cc4ccc(cc4)F)nn2
InChi [?]:
InChI=1/C18H14FN5O2/c1-26-15-4-2-3-14(9-15)24-17-16(21-22-24)18(25)23(11-20-17)10-12-5-7-13(19)8-6-12/h2-9,11H,10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,5,6,4,19,23,20,22,8,17,15,18,21,7,3,11,10,12,24,16,25,26,14,9,13,2/E:(5,6)(7,8)/rA:26nCOCCCCCCNCCCONCNCCCCCCCFNN/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;d10;s11;d12;s12;s14;s10d15;s14;s17;s18;d19;s20;d21;d18s22;s21;s11;s9d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H14FN5O2 |
All Atoms: | 40 |
Heavy Atoms: | 26 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 8.79621 |
Area: | 535.998 |
Solvation: | -4.60373 |
Coulombic: | -39.6705 |
Bond Count [?]
All: | 29 |
Single: | 19 |
Double: | 10 |
Rotors: | 4 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 2.25 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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