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Chemical ID: 5062881
Chemical ID:
5062881
Name [?]:
3-(2-chloroethyl)-1-(4-chlorophenyl)-urea
SMILES [?]:
c1cc(ccc1NC(=O)NCCCl)Cl
InChi [?]:
InChI=1/C9H10Cl2N2O/c10-5-6-12-9(14)13-8-3-1-7(11)2-4-8/h1-4H,5-6H2,(H2,12,13,14)
InChi Info:
AuxInfo=1/1/N:2,4,1,5,12,11,3,6,8,13,14,10,7,9/E:(1,2)(3,4)/rA:14nCCCCCCNCONCCClCl/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s8;s10;s11;s12;s3;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H10Cl2N2O |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.49291 |
Area: | 417.441 |
Solvation: | -1.94311 |
Coulombic: | -35.6549 |
Bond Count [?]
All: | 14 |
Single: | 10 |
Double: | 4 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 233.094 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 2.3 |
LogP (Chemaxon): | 2.57 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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