Chemical ID: 7153367

Cn1c(c(c(n1)C(=O)N2CCCCCC2)Cl)C(F)(F)F
Chemical ID:
7153367
Name [?]:
azepan-1-yl-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-methanone
SMILES [?]:
Cn1c(c(c(n1)C(=O)N2CCCCCC2)Cl)C(F)(F)F
InChi [?]:
InChI=1/C12H15ClF3N3O/c1-18-10(12(14,15)16)8(13)9(17-18)11(20)19-6-4-2-3-5-7-19/h2-7H2,1H3
InChi Info:
AuxInfo=1/0/N:1,12,13,11,14,10,15,4,5,3,7,17,16,18,19,20,6,2,9,8/E:(2,3)(4,5)(6,7)(14,15,16)/rA:20nCNCCCNCONCCCCCCClCFFF/rB:s1;s2;d3;s4;s2d5;s5;d7;s7;s9;s10;s11;s12;s13;s9s14;s4;s3;s17;s17;s17;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H15ClF3N3O
All Atoms:35
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:8.48034
Area:426.689
Solvation:-2.18687
Coulombic:-42.2262
Bond Count [?]
All:21
Single:18
Double:3
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:309.715
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.76
LogP (Chemaxon):2.15

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