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Chemical ID: 7086267
Chemical ID:
7086267
Name [?]:
2,6-dichloro-N-[(3-chlorophenyl)methyl]aniline
SMILES [?]:
c1cc(cc(c1)Cl)CNc2c(cccc2Cl)Cl
InChi [?]:
InChI=1/C13H10Cl3N/c14-10-4-1-3-9(7-10)8-17-13-11(15)5-2-6-12(13)16/h1-7,17H,8H2
InChi Info:
AuxInfo=1/0/N:1,13,2,6,12,14,4,8,3,5,11,15,10,7,17,16,9/E:(5,6)(11,12)(15,16)/rA:17nCCCCCCClCNCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s5;s3;s8;s9;s10;d11;s12;d13;d10s14;s15;s11;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H10Cl3N |
All Atoms: | 27 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.0999 |
Area: | 455.253 |
Solvation: | -1.2814 |
Coulombic: | -15.6237 |
Bond Count [?]
All: | 18 |
Single: | 12 |
Double: | 6 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 286.583 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 5.24 |
LogP (Chemaxon): | 4.95 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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