Chemical ID: 7085754

c1cc(cc(c1)Cl)CNc2ccc(c(c2)Cl)Cl
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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Descriptor Annotations

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