Chemical ID: 7086267

c1cc(cc(c1)Cl)CNc2c(cccc2Cl)Cl
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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Descriptor Annotations

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