Chemical ID: 3966458

c1c2c(cc(c1Cl)Cl)n(cn2)C3C(C(C(O3)CO)O)O
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

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