Chemical ID: 6642592

CCC(CO)NC(=O)Nc1ccc(c(c1)Cl)Cl
Chemical ID:
6642592
Name [?]:
3-(3,4-dichlorophenyl)-1-[1-(hydroxymethyl)propyl]urea
SMILES [?]:
CCC(CO)NC(=O)Nc1ccc(c(c1)Cl)Cl
InChi [?]:
InChI=1/C11H14Cl2N2O2/c1-2-7(6-16)14-11(17)15-8-3-4-9(12)10(13)5-8/h3-5,7,16H,2,6H2,1H3,(H2,14,15,17)
InChi Info:
AuxInfo=1/1/N:1,2,11,12,15,4,3,10,13,14,7,17,16,6,9,5,8/rA:17cCCCCONCONCCCCCCClCl/rB:s1;s2;s3;s4;s3;s6;d7;s7;s9;s10;d11;s12;d13;d10s14;s14;s13;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H14Cl2N2O2
All Atoms:17
Heavy Atoms:17
Chiral Atoms:1
ZAP Information [?]
Total:8.93745
Area:461.688
Solvation:-2.60476
Coulombic:-52.3787
Bond Count [?]
All:17
Single:13
Double:4
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:277.147
H-Bond Donors:3
H-Bond Acceptors:4
XLogP:2.27
LogP (Chemaxon):2.82

Name Annotations

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Descriptor Annotations

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