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Chemical ID: 7684485
Chemical ID:
7684485
Name [?]:
None
SMILES [?]:
CCn1c(cc(n1)c2nc3c4c(ncn3n2)Oc5c(c([nH]n5)C)C4c6cnn(c6)C)C(F)(F)F
InChi [?]:
InChI=1/C20H17F3N10O/c1-4-32-12(20(21,22)23)5-11(29-32)16-26-17-15-14(10-6-25-31(3)7-10)13-9(2)27-28-19(13)34-18(15)24-8-33(17)30-16/h5-8,14H,4H2,1-3H3,(H,27,28)
InChi Info:
AuxInfo=1/1/N:1,23,30,2,5,26,29,14,20,25,6,4,19,24,11,8,10,12,18,31,32,33,34,13,27,9,21,22,7,16,28,3,15,17/E:(21,22,23)/rA:34cCCNCCCNCNCCCNCNNOCCCNNCCCCNNCCCFFF/rB:s1;s2;s3;d4;s5;s3d6;s6;s8;d9;s10;d11;s12;d13;s10s14;d8s15;s12;s17;s18;d19;s20;d18s21;s20;s11s19;s24;s25;d26;s27;d25s28;s28;s4;s31;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H17F3N10O |
All Atoms: | 51 |
Heavy Atoms: | 34 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 9.62807 |
Area: | 614.369 |
Solvation: | -5.73115 |
Coulombic: | -60.6895 |
Bond Count [?]
All: | 39 |
Single: | 29 |
Double: | 10 |
Rotors: | 4 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 2.44 |
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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