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Chemical ID: 7086074
Chemical ID:
7086074
Name [?]:
N-[(2,6-dichlorophenyl)methyl]-2-methyl-butan-2-amine
SMILES [?]:
CCC(C)(C)NCc1c(cccc1Cl)Cl
InChi [?]:
InChI=1/C12H17Cl2N/c1-4-12(2,3)15-8-9-10(13)6-5-7-11(9)14/h5-7,15H,4,8H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,4,5,2,11,10,12,7,8,9,13,3,15,14,6/E:(2,3)(6,7)(10,11)(13,14)/rA:15nCCCCCNCCCCCCCClCl/rB:s1;s2;s3;s3;s3;s6;s7;s8;d9;s10;d11;d8s12;s13;s9;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H17Cl2N |
All Atoms: | 32 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.43237 |
Area: | 411.363 |
Solvation: | -0.851697 |
Coulombic: | -11.7251 |
Bond Count [?]
All: | 15 |
Single: | 12 |
Double: | 3 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 246.176 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 4.44 |
LogP (Chemaxon): | 3.91 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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