Chemical ID: 5818652

COc1ccc(cc1)N=C2NC(=O)C(=Cc3cc(ccc3O)Cl)S2
Chemical ID:
5818652
Name [?]:
5-[(5-chloro-2-hydroxy-phenyl)methylene]-2-(4-methoxyphenyl)imino-thiazolidin-4-one
SMILES [?]:
COc1ccc(cc1)N=C2NC(=O)C(=Cc3cc(ccc3O)Cl)S2
InChi [?]:
InChI=1/C17H13ClN2O3S/c1-23-13-5-3-12(4-6-13)19-17-20-16(22)15(24-17)9-10-8-11(18)2-7-14(10)21/h2-9,21H,1H3,(H,19,20,22)
InChi Info:
AuxInfo=1/1/N:1,19,5,7,4,8,20,17,15,16,18,6,3,21,14,12,10,23,9,11,22,13,2,24/E:(3,4)(5,6)/rA:24nCOCCCCCCNCNCOCCCCCCCCOClS/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;w9;s10;s11;d12;s12;w14;s15;s16;d17;s18;d19;d16s20;s21;s18;s10s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H13ClN2O3S
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:9.85141
Area:552.033
Solvation:-3.94942
Coulombic:-51.955
Bond Count [?]
All:26
Single:17
Double:9
Rotors:3
Chiral:2
Rigid Segments:4
Chemical Properties
Molecular Weight:360.815
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:3.22
LogP (Chemaxon):4.33

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