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Chemical ID: 5848598
Chemical ID:
5848598
Name [?]:
N-[4-chloro-3-(trifluoromethyl)phenyl]cyclohexanecarboxamide
SMILES [?]:
c1cc(c(cc1NC(=O)C2CCCCC2)C(F)(F)F)Cl
InChi [?]:
InChI=1/C14H15ClF3NO/c15-12-7-6-10(8-11(12)14(16,17)18)19-13(20)9-4-2-1-3-5-9/h6-9H,1-5H2,(H,19,20)
InChi Info:
AuxInfo=1/1/N:13,12,14,11,15,1,2,5,10,6,4,3,8,16,20,17,18,19,7,9/E:(2,3)(4,5)(16,17,18)/rA:20nCCCCCCNCOCCCCCCCFFFCl/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s8;s10;s11;s12;s13;s10s14;s4;s16;s16;s16;s3;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H15ClF3NO |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.92315 |
Area: | 452.964 |
Solvation: | -2.40095 |
Coulombic: | -39.4343 |
Bond Count [?]
All: | 21 |
Single: | 17 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 305.723 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.74 |
LogP (Chemaxon): | 4.65 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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