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Chemical ID: 7678635
Chemical ID:
7678635
Name [?]:
None
SMILES [?]:
c1cc(cc(c1)Cl)n2c3c(c(=O)n(cn3)CC(=O)Nc4ccc(cc4)F)nn2
InChi [?]:
InChI=1/C18H12ClFN6O2/c19-11-2-1-3-14(8-11)26-17-16(23-24-26)18(28)25(10-21-17)9-15(27)22-13-6-4-12(20)5-7-13/h1-8,10H,9H2,(H,22,27)
InChi Info:
AuxInfo=1/1/N:1,6,2,22,24,21,25,4,16,14,5,23,20,3,17,10,9,11,7,26,15,19,27,28,13,8,18,12/E:(4,5)(6,7)/rA:28nCCCCCCClNCCCONCNCCONCCCCCCFNN/rB:s1;d2;s3;d4;d1s5;s5;s3;s8;d9;s10;d11;s11;s13;s9d14;s13;s16;d17;s17;s19;s20;d21;s22;d23;d20s24;s23;s10;s8d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H12ClFN6O2 |
All Atoms: | 40 |
Heavy Atoms: | 28 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 10.0178 |
Area: | 589.44 |
Solvation: | -4.71821 |
Coulombic: | -51.7867 |
Bond Count [?]
All: | 31 |
Single: | 20 |
Double: | 11 |
Rotors: | 5 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 1.99 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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