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Chemical ID: 6522790
Chemical ID:
6522790
Name [?]:
2-[5-[(4-dimethylaminophenyl)methylene]-2,4-dioxo-thiazolidin-3-yl]ethylammonium
SMILES [?]:
CN(C)c1ccc(cc1)C=C2C(=O)N(C(=O)S2)CC[NH3+]
InChi [?]:
InChI=1/C14H17N3O2S/c1-16(2)11-5-3-10(4-6-11)9-12-13(18)17(8-7-15)14(19)20-12/h3-6,9H,7-8,15H2,1-2H3/p+1
InChi Info:
AuxInfo=1/1/N:1,3,6,8,5,9,19,18,10,7,4,11,12,15,20,2,14,13,16,17/E:(1,2)(3,4)(5,6)/rA:20nCNCCCCCCCCCCONCOSCCN+/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;w10;s11;d12;s12;s14;d15;s11s15;s14;s18;s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H18N3O2S+ |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -30.2318 |
Area: | 482.638 |
Solvation: | -42.2978 |
Coulombic: | 9.75463 |
Bond Count [?]
All: | 21 |
Single: | 15 |
Double: | 6 |
Rotors: | 4 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 292.378 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 1.01 |
LogP (Chemaxon): | 1.55 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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