Chemical ID: 6164646

c1ccc2c(c1)cccc2C=C3C(=O)NC(=Nc4ccccc4Cl)S3
Chemical ID:
6164646
Name [?]:
2-(2-chlorophenyl)imino-5-(1-naphthylmethylene)thiazolidin-4-one
SMILES [?]:
c1ccc2c(c1)cccc2C=C3C(=O)NC(=Nc4ccccc4Cl)S3
InChi [?]:
InChI=1/C20H13ClN2OS/c21-16-10-3-4-11-17(16)22-20-23-19(24)18(25-20)12-14-8-5-7-13-6-1-2-9-15(13)14/h1-12H,(H,22,23,24)
InChi Info:
AuxInfo=1/1/N:1,2,21,20,8,6,7,9,3,22,19,11,5,10,4,23,18,12,13,16,24,17,15,14,25/rA:25nCCCCCCCCCCCCCONCNCCCCCCClS/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s10;w11;s12;d13;s13;s15;w16;s17;s18;d19;s20;d21;d18s22;s23;s12s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H13ClN2OS
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:11.597
Area:551.798
Solvation:-2.19794
Coulombic:-31.6818
Bond Count [?]
All:28
Single:17
Double:11
Rotors:2
Chiral:2
Rigid Segments:3
Chemical Properties
Molecular Weight:364.849
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.98
LogP (Chemaxon):5.87

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