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Chemical ID: 7655550
Chemical ID:
7655550
Name [?]:
None
SMILES [?]:
Cn1c(c(c(n1)C(F)(F)F)Cl)C(=O)N(C)C23CC4CC(C2)CC(C4)C3
InChi [?]:
InChI=1/C17H21ClF3N3O/c1-23(16-6-9-3-10(7-16)5-11(4-9)8-16)15(25)13-12(18)14(17(19,20)21)22-24(13)2/h9-11H,3-8H2,1-2H3
InChi Info:
AuxInfo=1/0/N:15,1,19,22,24,21,17,25,20,18,23,4,3,5,12,16,7,11,8,9,10,6,14,2,13/E:(3,4,5)(6,7,8)(9,10,11)(19,20,21)/rA:25nCNCCCNCFFFClCONCCCCCCCCCCC/rB:s1;s2;d3;s4;s2d5;s5;s7;s7;s7;s4;s3;d12;s12;s14;s14;s16;s17;s18;s19;s16s20;s20;s22;s18s23;s16s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H21ClF3N3O |
All Atoms: | 46 |
Heavy Atoms: | 25 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 9.94199 |
Area: | 493.441 |
Solvation: | -2.39404 |
Coulombic: | -42.2336 |
Bond Count [?]
All: | 28 |
Single: | 25 |
Double: | 3 |
Rotors: | 4 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 4.42 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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