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Chemical ID: 4251226
Chemical ID:
4251226
Name [?]:
5-bromo-2-chloro-N-cyclohexyl-benzamide
SMILES [?]:
c1cc(c(cc1Br)C(=O)NC2CCCCC2)Cl
InChi [?]:
InChI=1/C13H15BrClNO/c14-9-6-7-12(15)11(8-9)13(17)16-10-4-2-1-3-5-10/h6-8,10H,1-5H2,(H,16,17)
InChi Info:
AuxInfo=1/1/N:14,13,15,12,16,1,2,5,6,11,4,3,8,7,17,10,9/E:(2,3)(4,5)/rA:17nCCCCCCBrCONCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s6;s4;d8;s8;s10;s11;s12;s13;s14;s11s15;s3;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H15BrClNO |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.4549 |
Area: | 444.707 |
Solvation: | -1.66278 |
Coulombic: | -23.2289 |
Bond Count [?]
All: | 18 |
Single: | 14 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 316.621 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.68 |
LogP (Chemaxon): | 3.84 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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