Chemical ID: 4843256

COc1cc(ccc1O)C=C2C(=O)NC(=Nc3ccccc3Cl)S2
Chemical ID:
4843256
Name [?]:
2-(2-chlorophenyl)imino-5-[(4-hydroxy-3-methoxy-phenyl)methylene]thiazolidin-4-one
SMILES [?]:
COc1cc(ccc1O)C=C2C(=O)NC(=Nc3ccccc3Cl)S2
InChi [?]:
InChI=1/C17H13ClN2O3S/c1-23-14-8-10(6-7-13(14)21)9-15-16(22)20-17(24-15)19-12-5-3-2-4-11(12)18/h2-9,21H,1H3,(H,19,20,22)
InChi Info:
AuxInfo=1/1/N:1,20,19,21,18,6,7,4,10,5,22,17,8,3,11,12,15,23,16,14,9,13,2,24/rA:24nCOCCCCCCOCCCONCNCCCCCCClS/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s5;w10;s11;d12;s12;s14;w15;s16;s17;d18;s19;d20;d17s21;s22;s11s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H13ClN2O3S
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:9.17458
Area:548.734
Solvation:-4.54378
Coulombic:-52.5488
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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