Chemical ID: 6388275

c1cc(c(cc1Br)Br)NC(=O)C2CCCCC2
Chemical ID:
6388275
Name [?]:
N-(2,4-dibromophenyl)cyclohexanecarboxamide
SMILES [?]:
c1cc(c(cc1Br)Br)NC(=O)C2CCCCC2
InChi [?]:
InChI=1/C13H15Br2NO/c14-10-6-7-12(11(15)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:15,14,16,13,17,1,2,5,12,6,4,3,10,7,8,9,11/E:(2,3)(4,5)/rA:17nCCCCCCBrBrNCOCCCCCC/rB:s1;d2;s3;d4;d1s5;s6;s4;s3;s9;d10;s10;s12;s13;s14;s15;s12s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H15Br2NO
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:9.70012
Area:440.753
Solvation:-1.31871
Coulombic:-22.0029
Bond Count [?]
All:18
Single:14
Double:4
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:361.072
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.78
LogP (Chemaxon):4.18

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