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Chemical ID: 5818652
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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