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Chemical ID: 4144023
Chemical ID:
4144023
Name [?]:
3-(3,4-dichlorophenyl)-1-phenyl-urea
SMILES [?]:
c1ccc(cc1)NC(=O)Nc2ccc(c(c2)Cl)Cl
InChi [?]:
InChI=1/C13H10Cl2N2O/c14-11-7-6-10(8-12(11)15)17-13(18)16-9-4-2-1-3-5-9/h1-8H,(H2,16,17,18)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,12,13,16,4,11,14,15,8,18,17,7,10,9/E:(2,3)(4,5)/rA:18nCCCCCCNCONCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s8;s10;s11;d12;s13;d14;d11s15;s15;s14;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H10Cl2N2O |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.52474 |
Area: | 455.586 |
Solvation: | -1.86491 |
Coulombic: | -36.1887 |
Bond Count [?]
All: | 19 |
Single: | 12 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 281.137 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 3.73 |
LogP (Chemaxon): | 4.54 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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