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Chemical ID: 4333069
Chemical ID:
4333069
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)ccc3n2c(nn3)c4ccc(cc4)C(F)(F)F
InChi [?]:
InChI=1/C17H10F3N3/c18-17(19,20)13-8-5-12(6-9-13)16-22-21-15-10-7-11-3-1-2-4-14(11)23(15)16/h1-10H
InChi Info:
AuxInfo=1/0/N:1,2,6,3,15,19,7,16,18,8,5,14,17,4,9,11,20,21,22,23,13,12,10/E:(5,6)(8,9)(18,19,20)/rA:23nCCCCCCCCCNCNNCCCCCCCFFF/rB:s1;d2;s3;d4;d1s5;s5;d7;s8;s4s9;s10;d11;d9s12;s11;s14;d15;s16;d17;d14s18;s17;s20;s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H10F3N3 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.96409 |
Area: | 449.988 |
Solvation: | -2.2856 |
Coulombic: | -32.4337 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 313.277 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 6.0 |
LogP (Chemaxon): | 4.59 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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