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Chemical ID: 6665280
Chemical ID:
6665280
Name [?]:
3-(2,4-dichlorophenyl)-1-propyl-urea
SMILES [?]:
CCCNC(=O)Nc1ccc(cc1Cl)Cl
InChi [?]:
InChI=1/C10H12Cl2N2O/c1-2-5-13-10(15)14-9-4-3-7(11)6-8(9)12/h3-4,6H,2,5H2,1H3,(H2,13,14,15)
InChi Info:
AuxInfo=1/1/N:1,2,10,9,3,12,11,13,8,5,15,14,4,7,6/rA:15nCCCNCONCCCCCCClCl/rB:s1;s2;s3;s4;d5;s5;s7;s8;d9;s10;d11;d8s12;s13;s11;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H12Cl2N2O |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.47347 |
Area: | 433.4 |
Solvation: | -1.36152 |
Coulombic: | -36.3192 |
Bond Count [?]
All: | 15 |
Single: | 11 |
Double: | 4 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 247.121 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 2.94 |
LogP (Chemaxon): | 2.54 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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