Chemical ID: 4739653

c1cc(ccc1NC(=S)NCCn2ccnc2)Cl
Chemical ID:
4739653
Name [?]:
1-(4-chlorophenyl)-3-(2-imidazol-1-ylethyl)thiourea
SMILES [?]:
c1cc(ccc1NC(=S)NCCn2ccnc2)Cl
InChi [?]:
InChI=1/C12H13ClN4S/c13-10-1-3-11(4-2-10)16-12(18)15-6-8-17-7-5-14-9-17/h1-5,7,9H,6,8H2,(H2,15,16,18)
InChi Info:
AuxInfo=1/1/N:2,4,1,5,15,11,14,12,17,3,6,8,18,16,10,7,13,9/E:(1,2)(3,4)/rA:18nCCCCCCNCSNCCNCCNCCl/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s8;s10;s11;s12;s13;d14;s15;s13d16;s3;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H13ClN4S
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:9.82185
Area:479.85
Solvation:-2.1744
Coulombic:-35.294
Bond Count [?]
All:19
Single:13
Double:6
Rotors:6
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:280.777
H-Bond Donors:2
H-Bond Acceptors:2
XLogP:2.37
LogP (Chemaxon):2.42

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