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Chemical ID: 7667774
Chemical ID:
7667774
Name [?]:
None
SMILES [?]:
Cc1cc(nn1CCCN)C(F)(F)F
InChi [?]:
InChI=1/C8H12F3N3/c1-6-5-7(8(9,10)11)13-14(6)4-2-3-12/h5H,2-4,12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,8,9,7,3,2,4,11,12,13,14,10,5,6/E:(9,10,11)/rA:14nCCCCNNCCCNCFFF/rB:s1;d2;s3;d4;s2s5;s6;s7;s8;s9;s4;s11;s11;s11;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H12F3N3 |
All Atoms: | 26 |
Heavy Atoms: | 14 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 6.78458 |
Area: | 363.745 |
Solvation: | -2.30903 |
Coulombic: | -35.4507 |
Bond Count [?]
All: | 14 |
Single: | 12 |
Double: | 2 |
Rotors: | 4 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 1.26 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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Chemical Mix | Source | External ID | Descriptor | Value |
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