US8975415, RP7a

C14H15BrN2O3 — CID 90056182

IUPAC—
SMILESC[C@H]1Oc2ccc(Br)cc2[C@@]2(COC(N)=N2)C12COC2
InChIInChI=1S/C14H15BrN2O3/c1-8-13(5-18-6-13)14(7-19-12(16)17-14)10-4-9(15)2-3-11(10)20-8/h2-4,8H,5-7H2,1H3,(H2,16,17)/t8-,14+/m1/s1
InChIKeyUGDRTDNGDMXMII-CLAHSXSESA-N
MW339.19 g/mol
LogP1.79
Rot. Bonds

About US8975415, RP7a

US8975415, RP7a (PubChem CID 90056182) has the molecular formula C14H15BrN2O3 and a molecular weight of 339.19 g/mol.

Molecular Properties

Compound NameUS8975415, RP7a
PubChem CID90056182
Molecular FormulaC14H15BrN2O3
Molecular Weight339.19 g/mol
Exact Mass338.03
IUPAC Name—
SMILESC[C@H]1Oc2ccc(Br)cc2[C@@]2(COC(N)=N2)C12COC2
InChIInChI=1S/C14H15BrN2O3/c1-8-13(5-18-6-13)14(7-19-12(16)17-14)10-4-9(15)2-3-11(10)20-8/h2-4,8H,5-7H2,1H3,(H2,16,17)/t8-,14+/m1/s1
InChIKeyUGDRTDNGDMXMII-CLAHSXSESA-N
XLogP1.79
TPSA66.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.19
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of US8975415, RP7a?
The IUPAC name of US8975415, RP7a (CID 90056182) is not available.
What is the SMILES notation for US8975415, RP7a?
The canonical SMILES for US8975415, RP7a is C[C@H]1Oc2ccc(Br)cc2[C@@]2(COC(N)=N2)C12COC2.
What is the InChIKey of US8975415, RP7a?
The InChIKey is UGDRTDNGDMXMII-CLAHSXSESA-N. The full InChI is InChI=1S/C14H15BrN2O3/c1-8-13(5-18-6-13)14(7-19-12(16)17-14)10-4-9(15)2-3-11(10)20-8/h2-4,8H,5-7H2,1H3,(H2,16,17)/t8-,14+/m1/s1.
What are the key properties of US8975415, RP7a?
US8975415, RP7a has a molecular weight of 339.19 g/mol, XLogP of 1.79, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for US8975415, RP7a is sourced from PubChem (CID 90056182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).