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Chemical ID: 7141238
Chemical ID:
7141238
Name [?]:
2-(2,4-dichlorophenyl)imino-5-[(4-nitrophenyl)methylene]thiazolidin-4-one
SMILES [?]:
c1cc(ccc1C=C2C(=O)NC(=Nc3ccc(cc3Cl)Cl)S2)[N+](=O)[O-]
InChi [?]:
InChI=1/C16H9Cl2N3O3S/c17-10-3-6-13(12(18)8-10)19-16-20-15(22)14(25-16)7-9-1-4-11(5-2-9)21(23)24/h1-8H,(H,19,20,22)
InChi Info:
AuxInfo=1/1/N:1,5,16,2,4,15,7,18,6,17,3,19,14,8,9,12,21,20,13,11,23,10,24,25,22/E:(1,2)(4,5)(23,24)/CRV:21.5/rA:25nCCCCCCCCCONCNCCCCCCClClSN+OO-/rB:s1;d2;s3;d4;d1s5;s6;w7;s8;d9;s9;s11;w12;s13;s14;d15;s16;d17;d14s18;s19;s17;s8s12;s3;d23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H9Cl2N3O3S |
All Atoms: | 34 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.52203 |
Area: | 581.71 |
Solvation: | -8.02073 |
Coulombic: | -40.553 |
Bond Count [?]
All: | 27 |
Single: | 17 |
Double: | 10 |
Rotors: | 3 |
Chiral: | 2 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 394.232 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 4.11 |
LogP (Chemaxon): | 5.34 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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