Chemical ID: 7135025

c1cc(cc(c1)Cl)C=C2C(=O)N=C(S2)Nc3ccc(cc3)Cl
Chemical ID:
7135025
Name [?]:
2-(4-chlorophenyl)amino-5-[(3-chlorophenyl)methylene]thiazol-4-one
SMILES [?]:
c1cc(cc(c1)Cl)C=C2C(=O)N=C(S2)Nc3ccc(cc3)Cl
InChi [?]:
InChI=1/C16H10Cl2N2OS/c17-11-4-6-13(7-5-11)19-16-20-15(21)14(22-16)9-10-2-1-3-12(18)8-10/h1-9H,(H,19,20,21)
InChi Info:
AuxInfo=1/1/N:1,2,6,18,20,17,21,4,8,3,19,5,16,9,10,13,22,7,15,12,11,14/E:(4,5)(6,7)/rA:22nCCCCCCClCCCONCSNCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s5;s3;w8;s9;d10;s10;d12;s9s13;s13;s15;s16;d17;s18;d19;d16s20;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H10Cl2N2OS
All Atoms:32
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:11.6529
Area:537.999
Solvation:-1.79704
Coulombic:-31.4069
Bond Count [?]
All:24
Single:15
Double:9
Rotors:3
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:349.235
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.6
LogP (Chemaxon):5.24

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