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Chemical ID: 5833613
Chemical ID:
5833613
Name [?]:
3-(2-methoxyphenyl)thiazolidine-2-carbohydrazide
SMILES [?]:
COc1ccccc1N2CCSC2C(=O)NN
InChi [?]:
InChI=1/C11H15N3O2S/c1-16-9-5-3-2-4-8(9)14-6-7-17-11(14)10(15)13-12/h2-5,11H,6-7,12H2,1H3,(H,13,15)
InChi Info:
AuxInfo=1/1/N:1,6,5,7,4,10,11,8,3,14,13,17,16,9,15,2,12/rA:17cCOCCCCCCNCCSCCONN/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;s11;s9s12;s13;d14;s14;s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H15N3O2S |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 5.69009 |
Area: | 390.84 |
Solvation: | -4.08091 |
Coulombic: | -43.4144 |
Bond Count [?]
All: | 18 |
Single: | 14 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 253.322 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 5 |
XLogP: | 0.83 |
LogP (Chemaxon): | 1.37 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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