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Chemical ID: 3966458
Chemical ID:
3966458
Name [?]:
2-(5,6-dichlorobenzoimidazol-1-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
SMILES [?]:
c1c2c(cc(c1Cl)Cl)n(cn2)C3C(C(C(O3)CO)O)O
InChi [?]:
InChI=1/C12H12Cl2N2O4/c13-5-1-7-8(2-6(5)14)16(4-15-7)12-11(19)10(18)9(3-17)20-12/h1-2,4,9-12,17-19H,3H2
InChi Info:
AuxInfo=1/0/N:1,4,17,10,6,5,2,3,15,14,13,12,7,8,11,9,18,19,20,16/rA:20cCCCCCCClClNCNCCCCOCOOO/rB:s1;d2;s3;d4;d1s5;s6;s5;s3;s9;s2d10;s9;s12;s13;s14;s12s15;s15;s17;s14;s13;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H12Cl2N2O4 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 4 |
ZAP Information [?]
Total: | 5.47418 |
Area: | 475.167 |
Solvation: | -6.405 |
Coulombic: | -69.7885 |
Bond Count [?]
All: | 22 |
Single: | 18 |
Double: | 4 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 319.14 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 4 |
XLogP: | 1.27 |
LogP (Chemaxon): | 1.71 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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