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Chemical ID: 7151962
Chemical ID:
7151962
Name [?]:
[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-pyrrolidin-1-yl-methanone
SMILES [?]:
Cn1c(c(c(n1)C(=O)N2CCCC2)Cl)C(F)(F)F
InChi [?]:
InChI=1/C10H11ClF3N3O/c1-16-8(10(12,13)14)6(11)7(15-16)9(18)17-4-2-3-5-17/h2-5H2,1H3
InChi Info:
AuxInfo=1/0/N:1,11,12,10,13,4,5,3,7,15,14,16,17,18,6,2,9,8/E:(2,3)(4,5)(12,13,14)/rA:18nCNCCCNCONCCCCClCFFF/rB:s1;s2;d3;s4;s2d5;s5;d7;s7;s9;s10;s11;s9s12;s4;s3;s15;s15;s15;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H11ClF3N3O |
All Atoms: | 29 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.76629 |
Area: | 404.504 |
Solvation: | -2.34631 |
Coulombic: | -41.544 |
Bond Count [?]
All: | 19 |
Single: | 16 |
Double: | 3 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 281.662 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 2.04 |
LogP (Chemaxon): | 1.35 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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