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Chemical ID: 6353122
Chemical ID:
6353122
Name [?]:
1-(4-chlorophenyl)-3-(2,5-dichlorophenyl)-urea
SMILES [?]:
c1cc(ccc1NC(=O)Nc2cc(ccc2Cl)Cl)Cl
InChi [?]:
InChI=1/C13H9Cl3N2O/c14-8-1-4-10(5-2-8)17-13(19)18-12-7-9(15)3-6-11(12)16/h1-7H,(H2,17,18,19)
InChi Info:
AuxInfo=1/1/N:2,4,14,1,5,15,12,3,13,6,16,11,8,19,18,17,7,10,9/E:(1,2)(4,5)/rA:19nCCCCCCNCONCCCCCCClClCl/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s8;s10;s11;d12;s13;d14;d11s15;s16;s13;s3;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H9Cl3N2O |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.7328 |
Area: | 492.294 |
Solvation: | -1.57458 |
Coulombic: | -36.7092 |
Bond Count [?]
All: | 20 |
Single: | 13 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 315.582 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 4.35 |
LogP (Chemaxon): | 4.41 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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