Chemical ID: 7136289

CC(=O)N1c2ccccc2C(=C3C(=O)N(C(=S)S3)c4ccccc4Cl)C1=O
Chemical ID:
7136289
Name [?]:
1-acetyl-3-[3-(2-chlorophenyl)-4-oxo-2-thioxo-thiazolidin-5-ylidene]-indolin-2-one
SMILES [?]:
CC(=O)N1c2ccccc2C(=C3C(=O)N(C(=S)S3)c4ccccc4Cl)C1=O
InChi [?]:
InChI=1/C19H11ClN2O3S2/c1-10(23)21-13-8-4-2-6-11(13)15(17(21)24)16-18(25)22(19(26)27-16)14-9-5-3-7-12(14)20/h2-9H,1H3
InChi Info:
AuxInfo=1/0/N:1,8,22,7,21,9,23,6,20,2,10,24,5,19,11,12,26,13,16,25,4,15,3,27,14,17,18/rA:27nCCONCCCCCCCCCONCSSCCCCCCClCO/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s10;w11;s12;d13;s13;s15;d16;s12s16;s15;s19;d20;s21;d22;d19s23;s24;s4s11;d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H11ClN2O3S2
All Atoms:38
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:11.6377
Area:562.481
Solvation:-2.42436
Coulombic:-44.5537
Bond Count [?]
All:30
Single:19
Double:11
Rotors:2
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:414.887
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:2.89
LogP (Chemaxon):3.41

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