Chemical ID: 5616275

c1ccc(c(c1)C=C2C(=O)NC(=Nc3ccccc3Cl)S2)O
Chemical ID:
5616275
Name [?]:
2-(2-chlorophenyl)imino-5-[(2-hydroxyphenyl)methylene]thiazolidin-4-one
SMILES [?]:
c1ccc(c(c1)C=C2C(=O)NC(=Nc3ccccc3Cl)S2)O
InChi [?]:
InChI=1/C16H11ClN2O2S/c17-11-6-2-3-7-12(11)18-16-19-15(21)14(22-16)9-10-5-1-4-8-13(10)20/h1-9,20H,(H,18,19,21)
InChi Info:
AuxInfo=1/1/N:1,17,16,2,6,18,15,3,7,5,19,14,4,8,9,12,20,13,11,22,10,21/rA:22nCCCCCCCCCONCNCCCCCCClSO/rB:s1;d2;s3;d4;d1s5;s5;w7;s8;d9;s9;s11;w12;s13;s14;d15;s16;d17;d14s18;s19;s8s12;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H11ClN2O2S
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:10.0191
Area:511.255
Solvation:-2.76226
Coulombic:-46.3276
Bond Count [?]
All:24
Single:15
Double:9
Rotors:2
Chiral:2
Rigid Segments:3
Chemical Properties
Molecular Weight:330.79
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:3.31
LogP (Chemaxon):4.59

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Descriptor Annotations

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