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Chemical ID: 5798673
Chemical ID:
5798673
Name [?]:
2-(2-chlorophenyl)imino-5-[[4-[(2-chlorophenyl)methoxy]phenyl]methylene]thiazolidin-4-one
SMILES [?]:
c1ccc(c(c1)COc2ccc(cc2)C=C3C(=O)NC(=Nc4ccccc4Cl)S3)Cl
InChi [?]:
InChI=1/C23H16Cl2N2O2S/c24-18-6-2-1-5-16(18)14-29-17-11-9-15(10-12-17)13-21-22(28)27-23(30-21)26-20-8-4-3-7-19(20)25/h1-13H,14H2,(H,26,27,28)
InChi Info:
AuxInfo=1/1/N:1,2,25,24,6,3,26,23,11,13,10,14,15,7,12,5,9,4,27,22,16,17,20,30,28,21,19,18,8,29/E:(9,10)(11,12)/rA:30nCCCCCCCOCCCCCCCCCONCNCCCCCCClSCl/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s9;d10;s11;d12;d9s13;s12;w15;s16;d17;s17;s19;w20;s21;s22;d23;s24;d25;d22s26;s27;s16s20;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H16Cl2N2O2S |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 13.7366 |
Area: | 671.32 |
Solvation: | -3.04637 |
Coulombic: | -40.074 |
Bond Count [?]
All: | 33 |
Single: | 21 |
Double: | 12 |
Rotors: | 5 |
Chiral: | 2 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 455.357 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 5.96 |
LogP (Chemaxon): | 6.91 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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