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Chemical ID: 7085754
Chemical ID:
7085754
Name [?]:
3,4-dichloro-N-[(3-chlorophenyl)methyl]aniline
SMILES [?]:
c1cc(cc(c1)Cl)CNc2ccc(c(c2)Cl)Cl
InChi [?]:
InChI=1/C13H10Cl3N/c14-10-3-1-2-9(6-10)8-17-11-4-5-12(15)13(16)7-11/h1-7,17H,8H2
InChi Info:
AuxInfo=1/0/N:1,2,6,11,12,4,15,8,3,5,10,13,14,7,17,16,9/rA:17nCCCCCCClCNCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s5;s3;s8;s9;s10;d11;s12;d13;d10s14;s14;s13;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H10Cl3N |
All Atoms: | 27 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.6613 |
Area: | 473.155 |
Solvation: | -1.16759 |
Coulombic: | -15.2696 |
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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