Chemical ID: 7212513

Cc1cc(nn1C(C)C(=O)N2CCCCCC2)C(F)(F)F
Chemical ID:
7212513
Name [?]:
1-azepan-1-yl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-propan-1-one
SMILES [?]:
Cc1cc(nn1C(C)C(=O)N2CCCCCC2)C(F)(F)F
InChi [?]:
InChI=1/C14H20F3N3O/c1-10-9-12(14(15,16)17)18-20(10)11(2)13(21)19-7-5-3-4-6-8-19/h9,11H,3-8H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,8,14,15,13,16,12,17,3,2,7,4,9,18,19,20,21,5,11,6,10/E:(3,4)(5,6)(7,8)(15,16,17)/rA:21cCCCCNNCCCONCCCCCCCFFF/rB:s1;d2;s3;d4;s2s5;s6;s7;s7;d9;s9;s11;s12;s13;s14;s15;s11s16;s4;s18;s18;s18;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H20F3N3O
All Atoms:41
Heavy Atoms:21
Chiral Atoms:1
ZAP Information [?]
Total:7.80825
Area:456.983
Solvation:-3.61632
Coulombic:-39.7277
Bond Count [?]
All:22
Single:19
Double:3
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:303.323
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.74
LogP (Chemaxon):2.44

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