Free Chemical Databases
-
[Synonyms]
NSC405929
NSC405930
NSC405931
[Structure]
[ Properties Computed from Structure]
Molecular Weight 328.3178 [g/mol] Molecular Formula C14H20N2O7 XLogP -3.5 H-Bond Donor 8 H-Bond Acceptor 9 Rotatable Bond Count 7 Exact Mass 328.127051 MonoIsotopic Mass 328.127051 Topological Polar Surface Area 170 Heavy Atom Count 23 Formal Charge 0 Complexity 375 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 6 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 0 Covalently-Bonded Unit Count 1
[ Descriptors Computed from Structure]
IUPAC Name: 1-(1H-benzimidazol-2-yl)heptane-1,2,3,4,5,6,7-heptol
Canonical SMILES: C1=CC=C2C(=C1)NC(=N2)C(C(C(C(C(C(CO)O)O)O)O)O)O
InChI: InChI=1/C14H20N2O7/c17-5-8(18)9(19)10(20)11(21)12(22)13(23)14-15-6-3-1-
2-4-7(6)16-14/h1-4,8-13,17-23H,5H2,(H,15,16)/f/h15H
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