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Chemical ID: 7681635
Chemical ID:
7681635
Name [?]:
None
SMILES [?]:
Cc1cccn2c1nc(=O)c3c2NC(=O)CC3c4ccc(cc4)F
InChi [?]:
InChI=1/C18H14FN3O2/c1-10-3-2-8-22-16(10)21-18(24)15-13(9-14(23)20-17(15)22)11-4-6-12(19)7-5-11/h2-8,13H,9H2,1H3,(H,20,23)
InChi Info:
AuxInfo=1/1/N:1,4,3,19,23,20,22,5,16,2,18,21,17,14,11,7,12,9,24,13,8,6,15,10/E:(4,5)(6,7)/rA:24cCCCCCNCNCOCCNCOCCCCCCCCF/rB:s1;d2;s3;d4;s5;s2s6;d7;s8;d9;s9;s6d11;s12;s13;d14;s14;s11s16;s17;s18;d19;s20;d21;d18s22;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H14FN3O2 |
All Atoms: | 38 |
Heavy Atoms: | 24 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 7.76851 |
Area: | 469.971 |
Solvation: | -3.98075 |
Coulombic: | -44.5258 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 1 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 1.83 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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