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Chemical ID: 5635638
Chemical ID:
5635638
Name [?]:
2-(2-chlorophenyl)imino-5-[(4-chlorophenyl)methylene]thiazolidin-4-one
SMILES [?]:
c1ccc(c(c1)N=C2NC(=O)C(=Cc3ccc(cc3)Cl)S2)Cl
InChi [?]:
InChI=1/C16H10Cl2N2OS/c17-11-7-5-10(6-8-11)9-14-15(21)20-16(22-14)19-13-4-2-1-3-12(13)18/h1-9H,(H,19,20,21)
InChi Info:
AuxInfo=1/1/N:2,1,3,6,15,19,16,18,13,14,17,4,5,12,10,8,20,22,7,9,11,21/E:(5,6)(7,8)/rA:22nCCCCCCNCNCOCCCCCCCCClSCl/rB:s1;d2;s3;d4;d1s5;s5;w7;s8;s9;d10;s10;w12;s13;s14;d15;s16;d17;d14s18;s17;s8s12;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H10Cl2N2OS |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.3742 |
Area: | 532.396 |
Solvation: | -1.93569 |
Coulombic: | -31.1372 |
Bond Count [?]
All: | 24 |
Single: | 15 |
Double: | 9 |
Rotors: | 2 |
Chiral: | 2 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 349.235 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.34 |
LogP (Chemaxon): | 5.39 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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