Chemical ID: 6317185

Cc1cc(ccc1NC(=S)N(Cc2ccccc2F)C3CC3)Cl
Chemical ID:
6317185
Name [?]:
3-(4-chloro-2-methyl-phenyl)-1-cyclopropyl-1-[(2-fluorophenyl)methyl]thiourea
SMILES [?]:
Cc1cc(ccc1NC(=S)N(Cc2ccccc2F)C3CC3)Cl
InChi [?]:
InChI=1/C18H18ClFN2S/c1-12-10-14(19)6-9-17(12)21-18(23)22(15-7-8-15)11-13-4-2-3-5-16(13)20/h2-6,9-10,15H,7-8,11H2,1H3,(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,15,16,14,17,5,21,22,6,3,12,2,13,4,20,18,7,9,23,19,8,11,10/E:(7,8)/rA:23nCCCCCCCNCSNCCCCCCCFCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s18;s11;s20;s20s21;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H18ClFN2S
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:11.0144
Area:512.785
Solvation:-1.80524
Coulombic:-25.9611
Bond Count [?]
All:25
Single:18
Double:7
Rotors:6
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:348.866
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:5.52
LogP (Chemaxon):4.98

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue