Chemical ID: 4981031

Cc1ccc(cc1Cl)NC(=O)CSc2ccccc2
Chemical ID:
4981031
Name [?]:
N-(3-chloro-4-methyl-phenyl)-2-phenylsulfanyl-acetamide
SMILES [?]:
Cc1ccc(cc1Cl)NC(=O)CSc2ccccc2
InChi [?]:
InChI=1/C15H14ClNOS/c1-11-7-8-12(9-14(11)16)17-15(18)10-19-13-5-3-2-4-6-13/h2-9H,10H2,1H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,17,16,18,15,19,3,4,6,12,2,5,14,7,10,8,9,11,13/E:(3,4)(5,6)/rA:19nCCCCCCCClNCOCSCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H14ClNOS
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:9.65348
Area:489.652
Solvation:-2.58781
Coulombic:-22.586
Bond Count [?]
All:20
Single:13
Double:7
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:291.797
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.08
LogP (Chemaxon):4.45

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