boric acid;guanidine

CH20B5N3O15 — CID 161488602

IUPACboric acid;guanidine
SMILESOB(O)O.OB(O)O.OB(O)O.OB(O)O.OB(O)O.[H]N=C(N)N
InChIInChI=1S/CH5N3.5BH3O3/c6*2-1(3)4/h(H5,2,3,4);5*2-4H
InChIKeyWFHNSZNVIGVLRL-UHFFFAOYSA-N
MW368.24 g/mol
LogP-11.42
Rot. Bonds

About boric acid;guanidine

boric acid;guanidine (PubChem CID 161488602) has the molecular formula CH20B5N3O15 and a molecular weight of 368.24 g/mol. Its IUPAC name is boric acid;guanidine.

Molecular Properties

Compound Nameboric acid;guanidine
PubChem CID161488602
Molecular FormulaCH20B5N3O15
Molecular Weight368.24 g/mol
Exact Mass369.14
IUPAC Nameboric acid;guanidine
SMILESOB(O)O.OB(O)O.OB(O)O.OB(O)O.OB(O)O.[H]N=C(N)N
InChIInChI=1S/CH5N3.5BH3O3/c6*2-1(3)4/h(H5,2,3,4);5*2-4H
InChIKeyWFHNSZNVIGVLRL-UHFFFAOYSA-N
XLogP-11.42
TPSA379.34 Ų
H-Bond Donors18
H-Bond Acceptors16
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500368.24
LogP ≤ 5-11.42
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of boric acid;guanidine?
The IUPAC name of boric acid;guanidine (CID 161488602) is boric acid;guanidine.
What is the SMILES notation for boric acid;guanidine?
The canonical SMILES for boric acid;guanidine is OB(O)O.OB(O)O.OB(O)O.OB(O)O.OB(O)O.[H]N=C(N)N.
What is the InChIKey of boric acid;guanidine?
The InChIKey is WFHNSZNVIGVLRL-UHFFFAOYSA-N. The full InChI is InChI=1S/CH5N3.5BH3O3/c6*2-1(3)4/h(H5,2,3,4);5*2-4H.
What are the key properties of boric acid;guanidine?
boric acid;guanidine has a molecular weight of 368.24 g/mol, XLogP of -11.42, 0 rotatable bonds, 18 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for boric acid;guanidine is sourced from PubChem (CID 161488602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).