Chemical ID: 5837179

c1cc(c(cc1Cl)NC(=O)C2CCCCC2)Cl
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

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Descriptor Annotations

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