Chemical ID: 5062881

c1cc(ccc1NC(=O)NCCCl)Cl
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

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Descriptor Annotations

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