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Chemical ID: 7101614
Chemical ID:
7101614
Name [?]:
N-[(2,6-dichlorophenyl)methyl]methanamine
SMILES [?]:
CNCc1c(cccc1Cl)Cl
InChi [?]:
InChI=1/C8H9Cl2N/c1-11-5-6-7(9)3-2-4-8(6)10/h2-4,11H,5H2,1H3
InChi Info:
AuxInfo=1/0/N:1,7,6,8,3,4,5,9,11,10,2/E:(3,4)(7,8)(9,10)/rA:11nCNCCCCCCCClCl/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s5;/rC:;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H9Cl2N |
All Atoms: | 20 |
Heavy Atoms: | 11 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.60251 |
Area: | 340.808 |
Solvation: | -0.9177 |
Coulombic: | -10.9785 |
Bond Count [?]
All: | 11 |
Single: | 8 |
Double: | 3 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 190.069 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 2.78 |
LogP (Chemaxon): | 2.61 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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