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Chemical ID: 6319055
Chemical ID:
6319055
Name [?]:
2-(4-chlorophenyl)-N-tert-butyl-acetamide
SMILES [?]:
CC(C)(C)NC(=O)Cc1ccc(cc1)Cl
InChi [?]:
InChI=1/C12H16ClNO/c1-12(2,3)14-11(15)8-9-4-6-10(13)7-5-9/h4-7H,8H2,1-3H3,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,3,4,10,14,11,13,8,9,12,6,2,15,5,7/E:(1,2,3)(4,5)(6,7)/rA:15nCCCCNCOCCCCCCCCl/rB:s1;s2;s2;s2;s5;d6;s6;s8;s9;d10;s11;d12;d9s13;s12;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H16ClNO |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.45414 |
Area: | 413.1 |
Solvation: | -1.87335 |
Coulombic: | -21.86 |
Bond Count [?]
All: | 15 |
Single: | 11 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 225.714 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.16 |
LogP (Chemaxon): | 2.41 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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