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Chemical ID: 7678374
Chemical ID:
7678374
Name [?]:
None
SMILES [?]:
c1cc(ccc1NC(=O)Cn2cnc3c(c2=O)nnn3c4ccc(cc4)F)OC(F)(F)F
InChi [?]:
InChI=1/C19H12F4N6O3/c20-11-1-5-13(6-2-11)29-17-16(26-27-29)18(31)28(10-24-17)9-15(30)25-12-3-7-14(8-4-12)32-19(21,22)23/h1-8,10H,9H2,(H,25,30)
InChi Info:
AuxInfo=1/1/N:23,25,1,5,22,26,2,4,10,12,24,6,21,3,8,15,14,16,29,27,30,31,32,13,7,18,19,11,20,9,17,28/E:(1,2)(3,4)(5,6)(7,8)(21,22,23)/rA:32nCCCCCCNCOCNCNCCCONNNCCCCCCFOCFFF/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s8;s10;s11;d12;s13;d14;s11s15;d16;s15;d18;s14s19;s20;s21;d22;s23;d24;d21s25;s24;s3;s28;s29;s29;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H12F4N6O3 |
All Atoms: | 44 |
Heavy Atoms: | 32 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 10.0477 |
Area: | 609.22 |
Solvation: | -5.18284 |
Coulombic: | -82.9202 |
Bond Count [?]
All: | 35 |
Single: | 24 |
Double: | 11 |
Rotors: | 7 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 2.53 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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