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Chemical ID: 5837179
Chemical ID:
5837179
Name [?]:
N-(2,5-dichlorophenyl)cyclohexanecarboxamide
SMILES [?]:
c1cc(c(cc1Cl)NC(=O)C2CCCCC2)Cl
InChi [?]:
InChI=1/C13H15Cl2NO/c14-10-6-7-11(15)12(8-10)16-13(17)9-4-2-1-3-5-9/h6-9H,1-5H2,(H,16,17)
InChi Info:
AuxInfo=1/1/N:14,13,15,12,16,1,2,5,11,6,3,4,9,7,17,8,10/E:(2,3)(4,5)/rA:17nCCCCCCClNCOCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s6;s4;s8;d9;s9;s11;s12;s13;s14;s11s15;s3;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H15Cl2NO |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.78253 |
Area: | 447.249 |
Solvation: | -1.39868 |
Coulombic: | -22.6929 |
Bond Count [?]
All: | 18 |
Single: | 14 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 272.17 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.43 |
LogP (Chemaxon): | 3.63 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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