CID 145160343

C15H10BN3O4 — CID 145160343

IUPAC—
SMILES[B]c1nc(C(=O)NCC(=O)O)c(O)cc1-c1cccc(C#N)c1
InChIInChI=1S/C15H10BN3O4/c16-14-10(9-3-1-2-8(4-9)6-17)5-11(20)13(19-14)15(23)18-7-12(21)22/h1-5,20H,7H2,(H,18,23)(H,21,22)
InChIKeyLSJOGPCTWZAZHI-UHFFFAOYSA-N
MW307.07 g/mol
LogP-0.07
Rot. Bonds4

About CID 145160343

CID 145160343 (PubChem CID 145160343) has the molecular formula C15H10BN3O4 and a molecular weight of 307.07 g/mol.

Molecular Properties

Compound NameCID 145160343
PubChem CID145160343
Molecular FormulaC15H10BN3O4
Molecular Weight307.07 g/mol
Exact Mass307.08
IUPAC Name—
SMILES[B]c1nc(C(=O)NCC(=O)O)c(O)cc1-c1cccc(C#N)c1
InChIInChI=1S/C15H10BN3O4/c16-14-10(9-3-1-2-8(4-9)6-17)5-11(20)13(19-14)15(23)18-7-12(21)22/h1-5,20H,7H2,(H,18,23)(H,21,22)
InChIKeyLSJOGPCTWZAZHI-UHFFFAOYSA-N
XLogP-0.07
TPSA123.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.07
LogP ≤ 5-0.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 145160343?
The IUPAC name of CID 145160343 (CID 145160343) is not available.
What is the SMILES notation for CID 145160343?
The canonical SMILES for CID 145160343 is [B]c1nc(C(=O)NCC(=O)O)c(O)cc1-c1cccc(C#N)c1.
What is the InChIKey of CID 145160343?
The InChIKey is LSJOGPCTWZAZHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BN3O4/c16-14-10(9-3-1-2-8(4-9)6-17)5-11(20)13(19-14)15(23)18-7-12(21)22/h1-5,20H,7H2,(H,18,23)(H,21,22).
What are the key properties of CID 145160343?
CID 145160343 has a molecular weight of 307.07 g/mol, XLogP of -0.07, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 145160343 is sourced from PubChem (CID 145160343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).