Chemical ID: 4469618

c1cc(c(cc1NC(=O)NCCc2ccncc2)Cl)Cl
Chemical ID:
4469618
Name [?]:
1-(3,4-dichlorophenyl)-3-[2-(4-pyridyl)ethyl]urea
SMILES [?]:
c1cc(c(cc1NC(=O)NCCc2ccncc2)Cl)Cl
InChi [?]:
InChI=1/C14H13Cl2N3O/c15-12-2-1-11(9-13(12)16)19-14(20)18-8-5-10-3-6-17-7-4-10/h1-4,6-7,9H,5,8H2,(H2,18,19,20)
InChi Info:
AuxInfo=1/1/N:1,2,14,18,12,15,17,11,5,13,6,3,4,8,20,19,16,10,7,9/E:(3,4)(6,7)/rA:20nCCCCCCNCONCCCCCNCCClCl/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s8;s10;s11;s12;s13;d14;s15;d16;d13s17;s4;s3;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H13Cl2N3O
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:10.1377
Area:513.86
Solvation:-2.70881
Coulombic:-39.826
Bond Count [?]
All:21
Single:14
Double:7
Rotors:6
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:310.178
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:2.78
LogP (Chemaxon):3.1

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