Chemical ID: 6677290

CN(c1cccc(c1Cl)Cl)C(=O)NCCCl
Chemical ID:
6677290
Name [?]:
3-(2-chloroethyl)-1-(2,3-dichlorophenyl)-1-methyl-urea
SMILES [?]:
CN(c1cccc(c1Cl)Cl)C(=O)NCCCl
InChi [?]:
InChI=1/C10H11Cl3N2O/c1-15(10(16)14-6-5-11)8-4-2-3-7(12)9(8)13/h2-4H,5-6H2,1H3,(H,14,16)
InChi Info:
AuxInfo=1/1/N:1,5,6,4,15,14,7,3,8,11,16,10,9,13,2,12/rA:16nCNCCCCCCClClCONCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s7;s2;d11;s11;s13;s14;s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H11Cl3N2O
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:9.35884
Area:453.027
Solvation:-1.96683
Coulombic:-31.9823
Bond Count [?]
All:16
Single:12
Double:4
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:281.565
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.07
LogP (Chemaxon):2.86

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Descriptor Annotations

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