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Chemical ID: 6709156
Chemical ID:
6709156
Name [?]:
[2-(4-chlorophenyl)-1,1-dimethyl-ethyl]ammonium
SMILES [?]:
CC(C)(Cc1ccc(cc1)Cl)[NH3+]
InChi [?]:
InChI=1/C10H14ClN/c1-10(2,12)7-8-3-5-9(11)6-4-8/h3-6H,7,12H2,1-2H3/p+1
InChi Info:
AuxInfo=1/1/N:1,3,6,10,7,9,4,5,8,2,11,12/E:(1,2)(3,4)(5,6)/rA:12nCCCCCCCCCCClN+/rB:s1;s2;s2;s4;s5;d6;s7;d8;d5s9;s8;s2;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H15ClN+ |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -28.2756 |
Area: | 350.887 |
Solvation: | -37.0478 |
Coulombic: | 39.4406 |
Bond Count [?]
All: | 12 |
Single: | 9 |
Double: | 3 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 184.686 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 2.8 |
LogP (Chemaxon): | 2.42 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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