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Chemical ID: 6388275
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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